UCSF

ZINC37859224

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 0.30 1.28 -12.88 1 6 0 83 299.377 4
Mid Mid (pH 6-8) 0.76 -0.9 -43.47 0 6 -1 86 298.369 4

Activity (Go SEA)

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