UCSF

ZINC20591214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 19 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) 2.72 7.77 -59.93 1 4 0 35 292.433 2
Lo Low (pH 4.5-6) 2.00 7.93 -46.56 2 4 1 38 293.441 2

Activity (Go SEA)

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