UCSF

ZINC33986387

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 24 No

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) 1.34 7.1 -17.22 2 8 0 118 349.368 5
Mid Mid (pH 6-8) 1.34 7.43 -58.71 3 8 1 120 350.376 5

Activity (Go SEA)

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