UCSF

ZINC42569117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.23 4.17 -53.95 3 6 1 80 330.474 7
Mid Mid (pH 6-8) 1.23 1.99 -15.49 2 6 0 79 329.466 7

Activity (Go SEA)

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