UCSF

ZINC41536288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 0.69 5.52 -83.61 3 5 2 41 286.464 9
Hi High (pH 8-9.5) 0.69 3.26 -40.61 2 5 1 40 285.456 9
Mid Mid (pH 6-8) 0.69 5.64 -79.91 3 5 2 41 286.464 9

Activity (Go SEA)

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