UCSF

ZINC41674761

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.08 7.9 -108.3 3 5 2 47 289.464 12
Hi High (pH 8-9.5) 2.08 3.12 -3.67 1 5 0 45 287.448 12
Hi High (pH 8-9.5) 2.08 5.42 -31.97 2 5 1 46 288.456 12
Mid Mid (pH 6-8) 2.08 7.2 -94.55 3 5 2 51 289.464 12
Mid Mid (pH 6-8) 2.08 5.59 -38.56 2 5 1 46 288.456 12

Activity (Go SEA)

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