UCSF

ZINC05968009

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 17 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) 1.62 7.59 -42.45 1 3 1 25 233.335 1
Mid Mid (pH 6-8) 1.62 5.24 -7.24 0 3 0 24 232.327 1

Activity (Go SEA)

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