UCSF

ZINC27767858

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 25 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) 5.07 13.68 -49.77 2 2 1 20 329.467 6
Mid Mid (pH 6-8) 5.07 12.26 -5.75 1 2 0 15 328.459 6

Activity (Go SEA)

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