UCSF

ZINC37032033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.13 -1.63 -39.7 4 6 1 92 217.245 4
Hi High (pH 8-9.5) -0.94 -3.9 -35.15 3 6 0 99 216.237 4

Activity (Go SEA)

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