UCSF

ZINC37997336

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 0.97 4.18 -47.82 3 4 1 59 256.395 7
Mid Mid (pH 6-8) 0.97 2.82 -9.43 2 4 0 54 255.387 7

Activity (Go SEA)

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