UCSF

ZINC43902030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.60 10.07 -132.8 3 3 2 34 285.435 8
Mid Mid (pH 6-8) 2.60 8.97 -46.34 2 3 1 29 284.427 8
Mid Mid (pH 6-8) 2.60 8.12 -38.97 2 3 1 33 284.427 8

Activity (Go SEA)

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