UCSF

ZINC42771230

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.11 7.09 -47.8 0 4 -1 57 300.256 6
Lo Low (pH 4.5-6) 3.11 9.35 -47.3 1 4 0 58 301.264 6

Activity (Go SEA)

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