UCSF

ZINC12652866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 25 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) 6.62 9.46 -49.26 0 3 -1 49 390.315 5
Mid Mid (pH 6-8) 6.17 10.81 -19.94 1 3 0 46 391.323 5

Activity (Go SEA)

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