UCSF

ZINC34938517

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) 2.11 4.46 -40.18 3 4 1 55 245.387 11
Hi High (pH 8-9.5) 2.11 3.3 -9.31 2 4 0 50 244.379 11

Activity (Go SEA)

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