UCSF

ZINC37818456

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

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) -1.02 -0.12 -46.5 3 6 1 73 291.375 3
Mid Mid (pH 6-8) -1.02 2.1 -109.51 4 6 2 74 292.383 3

Activity (Go SEA)

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