UCSF

ZINC21714268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 4.63 8.18 -10.6 0 7 0 66 458.006 4
Mid Mid (pH 6-8) 4.63 10.4 -52.74 1 7 1 67 459.014 4

Activity (Go SEA)

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