UCSF

ZINC39914349

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.52 6.61 -10.95 3 7 0 99 520.811 6
Hi High (pH 8-9.5) 5.32 5.82 -48.84 1 7 -1 98 519.803 6
Mid Mid (pH 6-8) 5.52 7.37 -45.57 2 7 -1 102 519.803 6

Activity (Go SEA)

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