UCSF

ZINC49510228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 19 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) 3.42 9.83 -29.63 3 3 1 45 256.304 2
Mid Mid (pH 6-8) 3.42 9.36 -10.4 2 3 0 44 255.296 2

Activity (Go SEA)

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