UCSF

ZINC34848378

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 4.35 10.06 -11.73 1 7 0 80 493.56 7
Lo Low (pH 4.5-6) 0.88 11.04 -38.31 2 7 1 80 494.568 8

Activity (Go SEA)

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