UCSF

ZINC50124123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 20 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) 1.68 4.81 -87.69 4 4 2 45 279.428 6
Mid Mid (pH 6-8) 1.68 2.55 -46.06 3 4 1 43 278.42 6
Mid Mid (pH 6-8) 1.68 4.83 -96.87 4 4 2 45 279.428 6

Activity (Go SEA)

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