UCSF

ZINC15735689

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 36 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) 3.23 11.89 -19.54 2 9 0 106 497.64 11
Mid Mid (pH 6-8) 3.23 12.4 -56.52 3 9 1 107 498.648 11

Activity (Go SEA)

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