UCSF

ZINC34684297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 2.75 8.33 -46.7 2 7 1 68 434.516 7
Mid Mid (pH 6-8) 2.75 8.34 -46.16 2 7 1 68 434.516 7
Mid Mid (pH 6-8) 2.75 6.07 -12.26 1 7 0 67 433.508 7

Activity (Go SEA)

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