UCSF

ZINC01760848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) 1.55 8.07 -15.74 2 6 0 93 244.302 6
Lo Low (pH 4.5-6) 1.55 8.34 -41.38 3 6 1 95 245.31 6
Lo Low (pH 4.5-6) 1.55 3.96 -39.66 3 6 1 95 245.31 6

Activity (Go SEA)

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