UCSF

ZINC19398473

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 0.71 5.99 -125.71 4 3 2 45 221.348 3
Mid Mid (pH 6-8) 0.71 5.61 -28.2 3 3 1 43 220.34 3
Mid Mid (pH 6-8) 0.71 3.93 -45.01 3 3 1 44 220.34 3

Activity (Go SEA)

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