UCSF

ZINC41653767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.52 2.54 -52.95 4 6 1 80 283.396 2
Mid Mid (pH 6-8) 1.52 2.99 -13.31 3 6 0 79 282.388 2

Activity (Go SEA)

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