UCSF

ZINC09847761

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 34 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) 3.61 13.02 -55.11 2 6 1 59 479.67 7
Mid Mid (pH 6-8) 3.61 10.74 -16.28 1 6 0 58 478.662 7

Activity (Go SEA)

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