UCSF

ZINC21787203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 2.43 10.01 -20.97 0 6 0 64 329.4 6
Mid Mid (pH 6-8) 2.43 10.48 -35 1 6 1 66 330.408 6

Activity (Go SEA)

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