UCSF

ZINC29986029

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 30 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) 3.76 7.73 -10.87 0 6 0 55 412.461 5
Mid Mid (pH 6-8) 3.76 10.04 -41.41 1 6 1 56 413.469 5

Activity (Go SEA)

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