UCSF

ZINC42763531

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.19 6.6 -96.19 4 3 2 41 306.372 7
Mid Mid (pH 6-8) 1.19 4.76 -44.67 3 3 1 40 305.364 7

Activity (Go SEA)

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