UCSF

ZINC37029362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.58 2.07 -55.45 5 6 1 95 280.348 7
Hi High (pH 8-9.5) 0.58 1.74 -19.15 4 6 0 93 279.34 7

Activity (Go SEA)

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