UCSF

ZINC77372194

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2012 17 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) 0.20 4.35 -46.06 1 5 -1 82 235.263 5
Lo Low (pH 4.5-6) 0.20 2.37 -8.28 2 5 0 79 236.271 5
Lo Low (pH 4.5-6) 0.20 2.83 -40.31 3 5 1 81 237.279 5

Activity (Go SEA)

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