UCSF

ZINC21631240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 30 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) 3.50 6.17 -57.64 2 8 1 77 410.498 8
Mid Mid (pH 6-8) 3.50 3.86 -13.29 1 8 0 76 409.49 8

Activity (Go SEA)

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