UCSF

ZINC36135381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) 0.24 4.89 -85.47 3 4 2 41 215.341 4
Hi High (pH 8-9.5) 0.24 3.45 -39.49 2 4 1 37 214.333 4

Activity (Go SEA)

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