UCSF

ZINC36230471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.03 1.34 -44.9 1 8 -1 124 289.289 7
Mid Mid (pH 6-8) 1.03 0.35 -15.1 2 8 0 121 290.297 7

Activity (Go SEA)

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