UCSF

ZINC34674244

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 2.82 8.09 -38.73 1 4 1 41 288.415 7
Hi High (pH 8-9.5) 2.82 5.82 -6.2 0 4 0 40 287.407 7
Mid Mid (pH 6-8) 2.82 8.09 -43.83 1 4 1 41 288.415 7

Activity (Go SEA)

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