UCSF

ZINC42747561

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.02 7.57 -119.48 4 3 2 41 292.467 4
Hi High (pH 8-9.5) 2.02 5.98 -3.2 2 3 0 38 290.451 4
Hi High (pH 8-9.5) 2.02 6.26 -38.97 3 3 1 40 291.459 4
Mid Mid (pH 6-8) 2.02 7.26 -33.69 3 3 1 40 291.459 4

Activity (Go SEA)

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