UCSF

ZINC27194396

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 27 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) 0.22 5.92 -105.81 3 6 0 93 379.407 4
Mid Mid (pH 6-8) -2.53 4.96 -78.71 4 6 1 96 380.415 3

Activity (Go SEA)

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