UCSF

ZINC05055951

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 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) 1.53 5.99 -16.58 1 7 0 90 359.407 3
Mid Mid (pH 6-8) 1.53 6.32 -53.42 0 7 -1 92 358.399 3

Activity (Go SEA)

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