UCSF

ZINC35497191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 2.64 5.82 -7.03 1 3 0 32 308.25 4
Mid Mid (pH 6-8) 2.64 6.77 -48.42 2 3 1 37 309.258 4

Activity (Go SEA)

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