UCSF

ZINC20198794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 0.93 2.88 -50.6 3 5 1 72 254.306 9
Hi High (pH 8-9.5) 0.93 1.39 -10.97 2 5 0 68 253.298 9

Activity (Go SEA)

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