UCSF

ZINC37792601

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.20 7.14 -47.16 1 5 -1 72 275.328 7
Lo Low (pH 4.5-6) 1.20 5.17 -10.2 2 5 0 70 276.336 7

Activity (Go SEA)

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