UCSF

ZINC34684367

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 2.52 8.15 -52.53 1 8 1 72 461.542 5
Mid Mid (pH 6-8) 2.52 8.17 -52.68 1 8 1 72 461.542 5
Mid Mid (pH 6-8) 2.52 5.9 -11.64 0 8 0 71 460.534 5

Activity (Go SEA)

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