UCSF

ZINC45700898

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.95 8.37 -102.54 4 4 2 50 358.324 9
Hi High (pH 8-9.5) 2.95 7.03 -39.64 3 4 1 46 357.316 9

Activity (Go SEA)

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