UCSF

ZINC55501571

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 33 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) 6.10 13.94 -8.84 0 5 0 41 438.575 7
Mid Mid (pH 6-8) 6.10 16.49 -101.45 2 5 2 44 440.591 7
Mid Mid (pH 6-8) 6.10 14.27 -25.74 1 5 1 43 439.583 7
Mid Mid (pH 6-8) 6.10 14.28 -25.87 1 5 1 43 439.583 7

Activity (Go SEA)

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