UCSF

ZINC37076303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.33 10.23 -29.9 2 3 1 43 310.483 8
Hi High (pH 8-9.5) 4.33 9.24 -2.89 1 3 0 38 309.475 8

Activity (Go SEA)

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