UCSF

ZINC39080331

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 0.95 0.68 -36.71 2 2 1 20 153.249 0
Mid Mid (pH 6-8) 0.95 1.94 -28.42 2 2 1 16 153.249 0
Lo Low (pH 4.5-6) 0.95 3.36 -99.13 3 2 2 21 154.257 0

Activity (Go SEA)

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