UCSF

ZINC38634186

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.20 3.47 -10.82 2 5 0 68 285.323 3
Hi High (pH 8-9.5) 0.20 5 -56.86 0 5 0 73 283.307 3
Mid Mid (pH 6-8) 0.20 4.24 -26.38 1 5 0 71 284.315 3

Activity (Go SEA)

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