UCSF

ZINC21639693

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 4.29 10.88 -8.8 1 5 0 50 378.451 6
Mid Mid (pH 6-8) 4.29 13.33 -42.64 2 5 1 51 379.459 6

Activity (Go SEA)

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