UCSF

ZINC21639386

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 4.20 10.23 -10.98 1 6 0 60 390.487 7
Mid Mid (pH 6-8) 4.20 12.65 -43.36 2 6 1 61 391.495 7

Activity (Go SEA)

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