UCSF

ZINC37079671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.78 5.51 -38.87 3 3 1 34 288.459 6
Hi High (pH 8-9.5) 1.78 6.65 -32.57 3 3 1 34 288.459 6
Mid Mid (pH 6-8) 1.78 7 -111.61 4 3 2 35 289.467 6
Mid Mid (pH 6-8) 1.78 6.78 -28.94 3 3 1 34 288.459 6

Activity (Go SEA)

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