UCSF

ZINC13030129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 35 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) 3.87 16.93 -17.97 0 9 0 105 474.517 9
Mid Mid (pH 6-8) 3.87 17.44 -56.53 1 9 1 106 475.525 9

Activity (Go SEA)

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