UCSF

ZINC07320641

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2006 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.80 4.07 -19.35 2 7 0 95 356.407 3
Hi High (pH 8-9.5) 1.80 4.28 -58.31 1 7 -1 97 355.399 3
Hi High (pH 8-9.5) 1.80 4.27 -52.81 1 7 -1 97 355.399 3
Mid Mid (pH 6-8) 1.80 4.09 -22.59 2 7 0 95 356.407 3

Activity (Go SEA)

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