UCSF

ZINC37408733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) 2.82 6.39 -41.57 2 2 1 20 205.325 2
Hi High (pH 8-9.5) 2.82 5.08 -2.96 1 2 0 15 204.317 2

Activity (Go SEA)

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