UCSF

ZINC39309129

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 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) 4.17 12.95 -51.93 1 7 1 73 484.363 7
Mid Mid (pH 6-8) 4.17 12.43 -13.26 0 7 0 71 483.355 7

Activity (Go SEA)

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