UCSF

ZINC34577978

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 1.41 6.89 -55.83 2 5 -1 88 315.202 2
Lo Low (pH 4.5-6) 1.41 4.89 -10.54 3 5 0 85 316.21 2

Activity (Go SEA)

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