UCSF

ZINC34684718

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 2.56 10.49 -44.82 1 5 1 31 393.555 5
Mid Mid (pH 6-8) 2.56 12.7 -98.07 2 5 2 32 394.563 5
Mid Mid (pH 6-8) 2.56 8.28 -9.6 0 5 0 30 392.547 5
Mid Mid (pH 6-8) 2.56 10.5 -51.49 1 5 1 31 393.555 5

Activity (Go SEA)

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