UCSF

ZINC42443502

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.14 2.11 -105.2 4 4 2 45 231.384 7
Mid Mid (pH 6-8) 0.14 0.26 -43.34 3 4 1 43 230.376 7
Mid Mid (pH 6-8) 0.14 2.55 -95.44 4 4 2 45 231.384 7
Lo Low (pH 4.5-6) 0.14 4.38 -200.68 5 4 3 46 232.392 7

Activity (Go SEA)

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