UCSF

ZINC35430405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 25 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) 1.72 7.09 -13.88 1 6 0 76 354.435 3
Lo Low (pH 4.5-6) 1.72 7.98 -76.98 3 6 2 79 356.451 3
Lo Low (pH 4.5-6) 1.72 7.57 -40.05 2 6 1 78 355.443 3

Activity (Go SEA)

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