UCSF

ZINC44672248

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 12 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) 2.21 3.1 -6.49 1 3 0 46 183.594 0
Hi High (pH 8-9.5) 2.66 0.46 -43.03 0 3 -1 49 182.586 0

Activity (Go SEA)

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