UCSF

ZINC15303003

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 28 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) 3.00 12.49 -18.23 0 8 0 88 443.257 4
Mid Mid (pH 6-8) 3.00 12.98 -57.33 1 8 1 89 444.265 4

Activity (Go SEA)

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