UCSF

ZINC08060300

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 23 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) 4.85 9.24 -10.04 1 3 0 42 304.393 3
Lo Low (pH 4.5-6) 4.85 9.89 -30.02 2 3 1 43 305.401 3

Activity (Go SEA)

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