UCSF

ZINC27560265

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 29 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) -1.64 2.8 -108.63 4 8 0 122 405.426 6
Mid Mid (pH 6-8) -4.32 1.84 -79.49 5 8 1 125 406.434 5

Activity (Go SEA)

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