UCSF

ZINC34500706

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 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) 3.25 7.3 -7.32 1 2 0 29 200.285 0
Lo Low (pH 4.5-6) 3.25 7.69 -24.57 2 2 1 30 201.293 0

Activity (Go SEA)

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