UCSF

ZINC44109195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 25 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) 3.80 9.17 -40.9 2 4 1 52 340.443 4
Mid Mid (pH 6-8) 3.80 8.48 -8.06 1 4 0 48 339.435 4

Activity (Go SEA)

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