UCSF

ZINC44833033

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 No

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) 0.22 3.05 -9.93 3 4 0 68 251.355 6
Lo Low (pH 4.5-6) 0.22 3.4 -37.73 4 4 1 69 252.363 6

Activity (Go SEA)

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