UCSF

ZINC48785612

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 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) 3.72 6.78 -40.19 2 3 1 38 275.397 3
Hi High (pH 8-9.5) 3.72 5.26 -49.11 0 3 -1 39 273.381 3
Mid Mid (pH 6-8) 3.72 4.49 -7.07 1 3 0 36 274.389 3

Activity (Go SEA)

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