UCSF

ZINC19400396

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 0.57 4.57 -47.17 3 4 1 55 266.361 6
Hi High (pH 8-9.5) 0.57 4.29 -5.06 2 4 0 54 265.353 6

Activity (Go SEA)

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