UCSF

ZINC70257747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 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) 2.71 7.98 -99.98 4 3 2 45 261.413 2
Hi High (pH 8-9.5) 2.71 7.5 -48.37 3 3 1 44 260.405 2
Hi High (pH 8-9.5) 2.71 7.65 -21.42 3 3 1 43 260.405 2

Activity (Go SEA)

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