UCSF

ZINC37837207

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) 0.65 4.31 -69.83 1 7 0 95 300.336 3
Mid Mid (pH 6-8) 0.65 2.17 -49.29 0 7 -1 94 299.328 3

Activity (Go SEA)

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