UCSF

ZINC17378244

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.11 1.21 -9.28 3 7 0 99 235.247 1
Lo Low (pH 4.5-6) 0.11 1.46 -36.6 4 7 1 100 236.255 1
Lo Low (pH 4.5-6) 0.11 -2.95 -29.83 4 7 1 100 236.255 1

Activity (Go SEA)

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