UCSF

ZINC21640178

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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) 5.00 10.65 -8.67 0 6 0 45 443.595 6
Mid Mid (pH 6-8) 5.00 12.99 -49.83 1 6 1 46 444.603 6

Activity (Go SEA)

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