UCSF

ZINC45663402

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.74 5.75 -37.53 3 3 1 34 270.828 7
Mid Mid (pH 6-8) 2.74 6.1 -34.83 3 3 1 34 270.828 7
Lo Low (pH 4.5-6) 2.74 8.22 -109.78 4 3 2 35 271.836 7

Activity (Go SEA)

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