UCSF

ZINC39202470

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2010 29 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) 5.33 14.39 -36.03 1 2 1 8 383.559 3
Mid Mid (pH 6-8) 5.33 12.48 -3.63 0 2 0 6 382.551 3
Mid Mid (pH 6-8) 5.33 14.17 -33.88 1 2 1 8 383.559 3

Activity (Go SEA)

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