UCSF

ZINC06757456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.35 11.94 -16.29 2 8 0 90 419.485 7
Mid Mid (pH 6-8) 3.53 12.59 -56.92 3 8 1 95 420.493 7

Activity (Go SEA)

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