UCSF

ZINC32227196

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 18 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) 1.39 5.42 -44.22 3 4 1 51 313.219 2
Mid Mid (pH 6-8) 1.39 3.1 -7.7 2 4 0 50 312.211 2

Activity (Go SEA)

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