UCSF

ZINC44085797

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 26 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) 3.52 9.95 -10.89 0 5 0 47 373.522 7
Mid Mid (pH 6-8) 3.52 10.44 -37.14 1 5 1 49 374.53 7

Activity (Go SEA)

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