UCSF

ZINC37812296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.14 6.77 -9.42 2 5 0 73 292.379 8
Mid Mid (pH 6-8) 0.14 7.12 -41.21 3 5 1 74 293.387 8

Activity (Go SEA)

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