UCSF

ZINC05784431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 20 No

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) 3.18 7.3 -57.08 1 6 -1 98 275.215 3
Mid Mid (pH 6-8) 3.18 6.2 -17.82 2 6 0 95 276.223 3

Activity (Go SEA)

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