UCSF

ZINC44509240

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 2.24 6 -80.68 4 3 2 43 243.354 3
Hi High (pH 8-9.5) 2.24 5.57 -47.83 3 3 1 42 242.346 3

Activity (Go SEA)

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