UCSF

ZINC53113791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.44 6.67 -40.3 3 4 1 54 288.415 4
Hi High (pH 8-9.5) 2.44 5.46 -10.21 2 4 0 50 287.407 4
Mid Mid (pH 6-8) 2.44 5.9 -26.03 3 4 1 51 288.415 4
Mid Mid (pH 6-8) 2.44 7.12 -89.81 4 4 2 55 289.423 4

Activity (Go SEA)

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