UCSF

ZINC95936404

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2014 21 Yes

Other Names:

MFCD00076902

Download: MOL2 SDF SMILES Flexibase

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) 3.55 9.33 -76.07 3 5 0 94 301.427 13
Mid Mid (pH 6-8) 3.55 8.99 -46.95 2 5 -1 92 300.419 13
Lo Low (pH 4.5-6) 3.55 7.36 -46.82 4 5 1 91 302.435 13

Activity (Go SEA)

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

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