UCSF

ZINC35825062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 24 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) 3.02 9.79 -40.52 3 5 1 71 341.822 3
Hi High (pH 8-9.5) 3.02 9.81 -7.69 2 5 0 69 340.814 3
Hi High (pH 8-9.5) 3.02 9.84 -7.87 2 5 0 69 340.814 3

Activity (Go SEA)

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