UCSF

ZINC21097426

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 26 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) 1.84 4.19 -13.27 1 7 0 81 379.482 6
Mid Mid (pH 6-8) 1.91 3.05 -42.91 2 7 1 86 380.49 6

Activity (Go SEA)

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