UCSF

ZINC37811434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.72 6.33 -46.85 3 4 1 72 278.351 6
Mid Mid (pH 6-8) 1.72 6.03 -9.7 2 4 0 70 277.343 6

Activity (Go SEA)

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