UCSF

ZINC15735674

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 3.36 11.88 -18.59 2 8 0 96 467.614 11
Mid Mid (pH 6-8) 3.36 12.39 -55.78 3 8 1 98 468.622 11

Activity (Go SEA)

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