UCSF

ZINC34959494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 0.95 5.69 -33.89 2 4 0 66 245.225 6
Hi High (pH 8-9.5) 0.95 4.6 -45.98 1 4 -1 61 244.217 6

Activity (Go SEA)

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