UCSF

ZINC21630148

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 3.58 6.87 -58.09 2 7 1 68 398.462 7
Mid Mid (pH 6-8) 3.58 4.5 -14.06 1 7 0 67 397.454 7

Activity (Go SEA)

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