UCSF

ZINC37831846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.66 -0.2 -55.16 1 8 -1 110 306.364 7
Mid Mid (pH 6-8) -0.66 1.97 -76.23 2 8 0 111 307.372 7

Activity (Go SEA)

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