UCSF

ZINC05930874

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 15 No

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) 3.02 7.91 -29.38 1 2 1 27 197.261 2
Mid Mid (pH 6-8) 3.02 7.86 -7.01 0 2 0 25 196.253 2

Activity (Go SEA)

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