UCSF

ZINC42770638

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 1.02 6.17 -51.29 0 6 -1 70 254.31 6
Mid Mid (pH 6-8) 1.02 6.3 -36.42 1 6 0 72 255.318 6

Activity (Go SEA)

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