UCSF

ZINC19877835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 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) 1.60 3.1 -36.62 3 5 1 57 292.403 5
Hi High (pH 8-9.5) 1.60 0.93 -13.83 2 5 0 56 291.395 5

Activity (Go SEA)

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