UCSF

ZINC34983284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.80 7.31 -44 2 2 1 22 215.32 0
Mid Mid (pH 6-8) 2.80 5.93 -6.08 1 2 0 17 214.312 0

Activity (Go SEA)

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