UCSF

ZINC12491795

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 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) 1.64 -2.01 -15.6 2 6 0 83 306.42 3
Lo Low (pH 4.5-6) 1.64 7.87 -30.66 3 6 1 84 307.428 3
Lo Low (pH 4.5-6) 1.64 7.84 -36.57 3 6 1 84 307.428 3

Activity (Go SEA)

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