UCSF

ZINC60701178

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 19 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) 3.38 6.5 -37.05 2 3 1 39 263.405 6
Hi High (pH 8-9.5) 3.38 7.14 -4.28 1 3 0 34 262.397 6
Lo Low (pH 4.5-6) 3.38 7.64 -31.97 2 3 1 35 263.405 6

Activity (Go SEA)

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