UCSF

ZINC37832474

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.51 4.26 -58.02 1 7 -1 99 283.304 5
Lo Low (pH 4.5-6) -0.51 2.31 -23.88 2 7 0 96 284.312 5

Activity (Go SEA)

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