UCSF

ZINC34983531

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 7.37 -44.86 2 2 1 22 215.32 0
Mid Mid (pH 6-8) 2.80 6.01 -6.66 1 2 0 17 214.312 0

Activity (Go SEA)

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