UCSF

ZINC19667817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 1.57 3.34 -48.21 3 4 1 49 267.393 7
Hi High (pH 8-9.5) 1.57 5.06 -33.16 3 4 1 49 267.393 7
Mid Mid (pH 6-8) 1.57 5.73 -120.84 4 4 2 51 268.401 7

Activity (Go SEA)

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