UCSF

ZINC36780041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.34 10.62 -64.73 0 6 -1 76 269.284 5
Mid Mid (pH 6-8) 1.34 11.14 -85.3 1 6 0 77 270.292 5
Lo Low (pH 4.5-6) 1.34 11.62 -110.71 2 6 1 78 271.3 5

Activity (Go SEA)

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