UCSF

ZINC28703417

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) -0.01 6.21 -112.04 3 6 0 93 373.428 5
Mid Mid (pH 6-8) -2.75 5.25 -79.1 4 6 1 96 374.436 4

Activity (Go SEA)

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