UCSF

ZINC39821077

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 27 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) -3.05 2.26 -107.98 8 10 1 176 376.393 9
Hi High (pH 8-9.5) -3.05 1.35 -64.39 6 10 -1 173 374.377 9
Mid Mid (pH 6-8) -3.05 1.68 -79.52 7 10 0 175 375.385 9

Activity (Go SEA)

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