UCSF

ZINC36748377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 30 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) 4.60 8.37 -14.5 0 6 0 62 445.35 4
Mid Mid (pH 6-8) 4.60 10.54 -51.85 1 6 1 64 446.358 4

Activity (Go SEA)

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