UCSF

ZINC40121184

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 3.14 10.25 -16.79 1 7 0 76 392.459 6
Mid Mid (pH 6-8) 3.14 10.69 -33.88 2 7 1 77 393.467 6

Activity (Go SEA)

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