UCSF

ZINC22874608

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 5.35 14.16 -40.51 1 2 1 8 367.516 4
Mid Mid (pH 6-8) 5.35 11.91 -5.69 0 2 0 6 366.508 4

Activity (Go SEA)

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