UCSF

ZINC37088210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.84 9.65 -31.01 2 3 0 57 354.269 6
Hi High (pH 8-9.5) 3.84 8.65 -44.95 1 3 -1 52 353.261 6

Activity (Go SEA)

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