UCSF

ZINC21819475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 3.09 10.04 -118.82 3 2 2 21 252.446 6
Mid Mid (pH 6-8) 3.09 7.91 -37.88 2 2 1 20 251.438 6

Activity (Go SEA)

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