UCSF

ZINC37984560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) 1.92 4.68 -45.01 3 3 1 46 302.217 5
Mid Mid (pH 6-8) 1.92 3.53 -8.75 2 3 0 41 301.209 5

Activity (Go SEA)

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