UCSF

ZINC40105815

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 3.63 7.01 -4.55 1 2 0 23 301.817 4
Mid Mid (pH 6-8) 3.63 9.5 -34.99 2 2 1 25 302.825 4

Activity (Go SEA)

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