UCSF

ZINC14929243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 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) -2.04 -6.95 -56.59 6 9 1 134 285.28 2
Mid Mid (pH 6-8) -2.04 -6.37 -30.25 6 9 1 134 285.28 2
Lo Low (pH 4.5-6) -2.04 -6.54 -97.84 7 9 2 135 286.288 2

Activity (Go SEA)

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