UCSF

ZINC42142408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.68 7.5 -15.87 1 4 0 55 308.362 3
Mid Mid (pH 6-8) 4.14 5.13 -53.87 0 4 -1 58 307.354 3

Activity (Go SEA)

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