UCSF

ZINC36132913

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 1.21 5.73 -64.06 1 5 -1 81 270.349 6
Lo Low (pH 4.5-6) 1.21 3.84 -10.76 2 5 0 78 271.357 6

Activity (Go SEA)

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