UCSF

ZINC37835965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.67 9.09 -52.94 0 6 -1 87 296.343 7
Lo Low (pH 4.5-6) 1.67 6.68 -11.84 1 6 0 84 297.351 7

Activity (Go SEA)

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