UCSF

ZINC34984413

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 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) 1.39 3.2 -33.75 4 3 1 56 180.275 1
Mid Mid (pH 6-8) 1.39 3.68 -102.1 5 3 2 58 181.283 1

Activity (Go SEA)

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