UCSF

ZINC43070722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 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) 2.27 11.13 -78.43 2 4 2 38 262.401 8
Hi High (pH 8-9.5) 2.27 10.43 -14.21 0 4 0 36 260.385 8
Mid Mid (pH 6-8) 2.27 10.78 -39.05 1 4 1 37 261.393 8

Activity (Go SEA)

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