UCSF

ZINC44828230

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 1.53 6.24 -40.67 2 4 1 57 236.339 5
Hi High (pH 8-9.5) 1.71 4.2 -34.38 1 4 0 64 235.331 5

Activity (Go SEA)

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