UCSF

ZINC34685549

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 37 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) 5.71 13.39 -12.09 1 5 0 55 496.582 8
Mid Mid (pH 6-8) 5.71 15.34 -42.28 2 5 1 56 497.59 8

Activity (Go SEA)

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