UCSF

ZINC43243301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.94 5.28 -29.56 3 3 1 40 271.45 7
Hi High (pH 8-9.5) 1.94 3.63 -1.99 2 3 0 38 270.442 7
Mid Mid (pH 6-8) 1.94 3.95 -39.23 3 3 1 40 271.45 7
Mid Mid (pH 6-8) 1.94 5.61 -102.45 4 3 2 41 272.458 7

Activity (Go SEA)

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