UCSF

ZINC37792047

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.33 5.14 -53.96 1 5 -1 82 275.309 4
Lo Low (pH 4.5-6) 1.33 3.2 -15.59 2 5 0 79 276.317 4

Activity (Go SEA)

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