UCSF

ZINC62966301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 0.76 7.41 -97.9 2 4 1 49 215.317 6
Mid Mid (pH 6-8) 0.76 5.03 -59.43 1 4 0 48 214.309 6
Mid Mid (pH 6-8) 0.76 5.25 -43.07 1 4 0 48 214.309 6

Activity (Go SEA)

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