UCSF

ZINC36882769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 1.21 6.34 -48.46 3 3 1 40 285.411 3
Hi High (pH 8-9.5) 1.21 5.94 -4.44 2 3 0 38 284.403 3
Lo Low (pH 4.5-6) 1.21 7.96 -139.11 4 3 2 41 286.419 3

Activity (Go SEA)

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