UCSF

ZINC81213899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2012 27 Yes

Other Names:

MFCD00941408

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 6.06 -12.37 2 8 0 86 373.457 5
Mid Mid (pH 6-8) 1.99 8.59 -89.97 4 8 2 88 375.473 5
Mid Mid (pH 6-8) 1.99 6.38 -28.36 3 8 1 87 374.465 5
Lo Low (pH 4.5-6) 1.99 8.61 -94.7 4 8 2 88 375.473 5

Vendor Notes

Note Type Comments Provided By
Indications antihypertensive KeyOrganics Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.