UCSF

ZINC35719750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 1.54 5.68 -51.78 3 3 1 44 246.359 2
Hi High (pH 8-9.5) 1.54 5.36 -6.1 2 3 0 42 245.351 2
Mid Mid (pH 6-8) 1.54 6.15 -108.68 4 3 2 45 247.367 2

Activity (Go SEA)

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