UCSF

ZINC39769814

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 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) 5.19 13.17 -121.31 2 2 2 9 368.487 4
Hi High (pH 8-9.5) 5.19 11.27 -36.1 1 2 1 8 367.479 4
Hi High (pH 8-9.5) 5.19 11.19 -2.5 0 2 0 6 366.471 4

Activity (Go SEA)

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