UCSF

ZINC33738544

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 5.34 9.75 -16.03 1 6 0 64 519.589 12
Mid Mid (pH 6-8) 5.34 12 -63.89 2 6 1 65 520.597 12

Activity (Go SEA)

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