UCSF

ZINC55108769

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 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) 2.90 10.3 -30.35 1 6 1 51 375.5 4
Mid Mid (pH 6-8) 2.90 9.97 -11.22 0 6 0 50 374.492 4
Mid Mid (pH 6-8) 2.90 12.5 -85.55 2 6 2 53 376.508 4

Activity (Go SEA)

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