UCSF

ZINC21529390

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 4.05 11.77 -52.91 3 6 1 76 485.58 7
Mid Mid (pH 6-8) 4.05 9.6 -17.4 2 6 0 74 484.572 7

Activity (Go SEA)

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