UCSF

ZINC37820757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.07 1.88 -47.82 4 6 1 86 272.369 5
Hi High (pH 8-9.5) 2.07 1.5 -11.23 3 6 0 85 271.361 5

Activity (Go SEA)

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