UCSF

ZINC36138311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 0.98 6.07 -59.38 0 6 -1 79 288.364 11
Lo Low (pH 4.5-6) 0.98 3.68 -6.47 1 6 0 76 289.372 11

Activity (Go SEA)

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