UCSF

ZINC36720812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.23 8.26 -72.95 0 5 -1 71 260.269 4
Mid Mid (pH 6-8) 1.23 7.43 -29.45 1 5 0 75 261.277 4

Activity (Go SEA)

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