UCSF

ZINC37810813

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.18 3.03 -46.9 4 5 1 77 256.37 4
Mid Mid (pH 6-8) 0.18 2.69 -14.27 3 5 0 75 255.362 4

Activity (Go SEA)

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