UCSF

ZINC01406103

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 18 Yes

Other Names:

MFCD01815092

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) 2.95 -0.98 -12.89 1 3 0 38 238.29 2
Mid Mid (pH 6-8) 2.95 -0.79 -25.19 2 3 1 39 239.298 2

Vendor Notes

Note Type Comments Provided By
melting_point 229 - 230 (dec) KeyOrganics

Activity (Go SEA)

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