UCSF

ZINC38284695

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 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) 0.40 4.29 -46.56 3 5 1 74 243.327 5
Hi High (pH 8-9.5) 0.40 4.01 -11.38 2 5 0 73 242.319 5

Activity (Go SEA)

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