UCSF

ZINC37986122

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 0.98 3.91 -69.33 2 6 0 91 306.409 7
Hi High (pH 8-9.5) 0.98 1.48 -46.95 1 6 -1 90 305.401 7
Hi High (pH 8-9.5) 0.98 3.45 -77.47 1 6 -1 93 305.401 7

Activity (Go SEA)

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