UCSF

ZINC34669112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 3.45 7.43 -10.91 1 5 0 48 414.481 5
Mid Mid (pH 6-8) 3.45 9.67 -57.52 2 5 1 50 415.489 5

Activity (Go SEA)

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