UCSF

ZINC37000380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 4.44 4.5 -5.73 3 3 0 52 350.256 5
Mid Mid (pH 6-8) 4.44 5.3 -41.93 4 3 1 57 351.264 5

Activity (Go SEA)

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