UCSF

ZINC21803343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.20 3.14 -13.52 3 5 0 81 324.427 5
Hi High (pH 8-9.5) 2.20 3.21 -49.4 2 5 -1 83 323.419 5

Activity (Go SEA)

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