UCSF

ZINC45689850

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 3.03 7.35 -34.1 2 2 1 20 235.395 7
Mid Mid (pH 6-8) 3.03 8.18 -33.19 2 2 1 16 235.395 7
Lo Low (pH 4.5-6) 3.03 9.43 -112.2 3 2 2 21 236.403 7

Activity (Go SEA)

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