UCSF

ZINC13831138

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 19 No

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) 3.08 5.99 -29.6 2 3 1 31 272.759 0
Mid Mid (pH 6-8) 3.08 5.58 -8.74 1 3 0 30 271.751 0
Lo Low (pH 4.5-6) 3.08 7.34 -98.32 3 3 2 36 273.767 0

Activity (Go SEA)

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