UCSF

ZINC44649830

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 1.34 4.74 -85.23 4 4 2 50 243.395 5
Hi High (pH 8-9.5) 1.34 3.38 -36.32 3 4 1 46 242.387 5

Activity (Go SEA)

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