UCSF

ZINC34536190

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 6.09 11.41 -3.99 0 2 0 16 282.497 9
Mid Mid (pH 6-8) 6.09 11.85 -23.56 1 2 1 17 283.505 9

Activity (Go SEA)

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