UCSF

ZINC03669287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 30 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) 7.36 0.23 -8.93 1 2 0 28 404.538 5
Mid Mid (pH 6-8) 7.36 0.43 -30.82 2 2 1 29 405.546 5

Activity (Go SEA)

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