UCSF

ZINC43896221

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 2.84 6.71 -108.77 3 3 2 30 244.423 7
Hi High (pH 8-9.5) 2.84 3.75 -0.75 1 3 0 24 242.407 7
Hi High (pH 8-9.5) 2.84 5.18 -33.95 2 3 1 29 243.415 7
Mid Mid (pH 6-8) 2.84 5.74 -27.59 2 3 1 26 243.415 7

Activity (Go SEA)

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