UCSF

ZINC34477196

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 20 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) 0.57 9.66 -68.36 0 4 -1 62 272.255 3
Mid Mid (pH 6-8) 0.57 7.66 -15.82 1 4 0 59 273.263 3
Lo Low (pH 4.5-6) -1.86 7.87 -36.54 1 4 0 64 273.263 3

Activity (Go SEA)

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