UCSF

ZINC34673968

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 19 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) 2.20 5.27 -10.69 0 4 0 45 260.337 5
Mid Mid (pH 6-8) 2.20 7.56 -42.02 1 4 1 47 261.345 5

Activity (Go SEA)

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