UCSF

ZINC40746994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 21 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) 3.83 8.3 -32.19 2 2 1 16 289.487 3
Mid Mid (pH 6-8) 3.83 9.59 -34.55 2 2 1 20 289.487 3
Mid Mid (pH 6-8) 3.83 9.58 -105.04 3 2 2 21 290.495 3

Activity (Go SEA)

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