UCSF

ZINC33706218

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 18 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) 2.04 8.37 -69.11 1 4 -1 73 244.27 3
Lo Low (pH 4.5-6) 2.04 6.55 -33.56 2 4 0 76 245.278 3

Activity (Go SEA)

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