UCSF

ZINC34685802

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.08 3.25 -49.76 2 7 1 68 364.466 7
Hi High (pH 8-9.5) 0.08 1.89 -11.57 1 7 0 63 363.458 7
Mid Mid (pH 6-8) 0.08 5.52 -106.31 3 7 2 69 365.474 7

Activity (Go SEA)

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