UCSF

ZINC37835423

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) 1.48 9.67 -55.27 0 5 -1 84 289.355 6
Lo Low (pH 4.5-6) 1.48 7.67 -16.58 1 5 0 81 290.363 6

Activity (Go SEA)

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