UCSF

ZINC37108073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.31 7.81 -39.85 2 3 1 43 260.357 3
Hi High (pH 8-9.5) 2.31 6.43 -5.79 1 3 0 38 259.349 3

Activity (Go SEA)

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