UCSF

ZINC70259019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 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) 2.83 8.3 -46.45 2 4 1 57 272.372 3
Hi High (pH 8-9.5) 2.65 7.47 -28.37 1 4 0 64 271.364 3
Hi High (pH 8-9.5) 2.65 5.55 -35.56 0 4 -1 62 270.356 3

Activity (Go SEA)

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