UCSF

ZINC21646237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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 10.17 -59.11 2 9 1 98 473.985 9
Mid Mid (pH 6-8) 3.58 7.86 -13.35 1 9 0 97 472.977 9

Activity (Go SEA)

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