UCSF

ZINC37001842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.97 3.78 -46.94 1 6 -1 96 286.329 8
Hi High (pH 8-9.5) 0.97 3.84 -99.84 0 6 -2 98 285.321 8

Activity (Go SEA)

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