UCSF

ZINC42910090

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.23 7.32 -110.75 4 3 2 47 217.316 3
Hi High (pH 8-9.5) 1.23 6.15 -5.81 2 3 0 44 215.3 3
Mid Mid (pH 6-8) 1.23 6.49 -47.8 3 3 1 45 216.308 3

Activity (Go SEA)

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