UCSF

ZINC21796561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 13 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) 2.52 5.35 -6.93 1 2 0 25 172.231 2
Mid Mid (pH 6-8) 2.52 5.78 -26.49 2 2 1 26 173.239 2

Activity (Go SEA)

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