UCSF

ZINC21819643

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.90 6 -59.39 1 6 -1 102 325.753 3
Mid Mid (pH 6-8) 2.72 4.75 -56.81 1 6 -1 99 325.753 4

Activity (Go SEA)

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