UCSF

ZINC36808286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 1.47 7.35 -34.65 2 3 0 57 306.225 6
Hi High (pH 8-9.5) 1.47 6.05 -40.39 1 3 -1 52 305.217 6

Activity (Go SEA)

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