UCSF

ZINC34034291

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.34 10.51 -43.51 3 5 1 62 375.496 7
Hi High (pH 8-9.5) 3.34 8.04 -9.16 2 5 0 61 374.488 7
Hi High (pH 8-9.5) 3.34 8.03 -9.07 2 5 0 61 374.488 7
Mid Mid (pH 6-8) 3.34 10.49 -43.83 3 5 1 62 375.496 7

Activity (Go SEA)

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