UCSF

ZINC34496210

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) 1.19 1.05 -2.99 1 3 0 33 199.294 1
Mid Mid (pH 6-8) 1.19 2.91 -29.51 2 3 1 34 200.302 1

Activity (Go SEA)

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