UCSF

ZINC34678040

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 2.85 6.27 -44.39 2 6 1 63 395.458 6
Mid Mid (pH 6-8) 2.85 6.29 -46.83 2 6 1 63 395.458 6
Mid Mid (pH 6-8) 2.85 4.02 -8.27 1 6 0 62 394.45 6

Activity (Go SEA)

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