UCSF

ZINC20598669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 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) 1.56 2.28 -35.07 2 3 1 28 215.361 4
Hi High (pH 8-9.5) 1.56 0.35 -4.3 1 3 0 27 214.353 4
Mid Mid (pH 6-8) 1.56 2.74 -34.4 2 3 1 28 215.361 4

Activity (Go SEA)

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