UCSF

ZINC65393493

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2011 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) 1.68 9.52 -95.73 2 5 2 32 336.524 8
Mid Mid (pH 6-8) 1.68 7.54 -38.15 1 5 1 31 335.516 8

Activity (Go SEA)

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