UCSF

ZINC37856478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.51 3.53 -45.93 3 3 1 40 255.357 8
Mid Mid (pH 6-8) 1.51 4.22 -35.83 3 3 1 37 255.357 8

Activity (Go SEA)

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