UCSF

ZINC40115976

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 2.26 8.19 -24.65 2 7 0 88 385.427 6
Mid Mid (pH 6-8) 2.26 8.64 -42.87 3 7 1 90 386.435 6

Activity (Go SEA)

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