UCSF

ZINC05092981

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 21 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) 3.26 4.72 -15.45 2 5 0 79 278.267 1
Mid Mid (pH 6-8) 3.72 2.99 -60.53 1 5 -1 82 277.259 1

Activity (Go SEA)

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