UCSF

ZINC04720422

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 21 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) 3.93 8.13 -9.04 1 3 0 38 302.443 5
Mid Mid (pH 6-8) 3.93 8.59 -26.86 2 3 1 39 303.451 5

Activity (Go SEA)

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