UCSF

ZINC34425447

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 24 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) 1.36 6.3 -43.97 3 4 1 53 324.448 4
Hi High (pH 8-9.5) 1.36 4.2 -5.92 2 4 0 51 323.44 4
Hi High (pH 8-9.5) 1.36 4.51 -34.53 3 4 1 53 324.448 4
Mid Mid (pH 6-8) 1.36 6.65 -136.14 4 4 2 54 325.456 4
Mid Mid (pH 6-8) 1.36 6.7 -89.68 4 4 2 54 325.456 4

Activity (Go SEA)

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