UCSF

ZINC13543803

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 19 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) 3.39 4.05 -47.9 1 5 -1 78 271.325 3
Mid Mid (pH 6-8) 2.94 5.81 -8.47 2 5 0 74 272.333 3
Mid Mid (pH 6-8) 2.94 6.01 -11.27 2 5 0 74 272.333 3

Activity (Go SEA)

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