UCSF

ZINC42779752

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 2.75 6.56 -41.25 2 2 1 20 253.435 6
Hi High (pH 8-9.5) 2.75 5.22 -2.92 1 2 0 15 252.427 6
Hi High (pH 8-9.5) 2.75 7.3 -34.87 2 2 1 16 253.435 6
Mid Mid (pH 6-8) 2.75 8.65 -108.48 3 2 2 21 254.443 6

Activity (Go SEA)

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