UCSF

ZINC34974429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 1.17 6.44 -41.68 1 4 0 58 197.234 4
Hi High (pH 8-9.5) 1.17 4.12 -50.02 0 4 -1 57 196.226 4

Activity (Go SEA)

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