UCSF

ZINC37854770

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.98 3.1 -100.54 4 5 2 54 303.491 11
Mid Mid (pH 6-8) 0.98 5.42 -180.83 5 5 3 55 304.499 11

Activity (Go SEA)

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