UCSF

ZINC12547106

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 34 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) 2.00 5.52 -24.19 3 11 0 158 504.594 5
Mid Mid (pH 6-8) 2.00 7.28 -64.88 4 11 1 159 505.602 5

Activity (Go SEA)

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