UCSF

ZINC34553095

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 5.41 8.52 -5.04 1 4 0 35 395.721 1
Mid Mid (pH 6-8) 5.41 10.87 -42.1 2 4 1 36 396.729 1

Activity (Go SEA)

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