UCSF

ZINC31865667

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.47 8.05 -19.89 0 6 0 68 356.451 4
Lo Low (pH 4.5-6) 1.47 8.49 -49 1 6 1 69 357.459 4

Activity (Go SEA)

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