UCSF

ZINC36787613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 No

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) 1.26 3.75 -9.46 1 3 0 32 216.35 3
Mid Mid (pH 6-8) 1.26 4.85 -38.98 2 3 1 37 217.358 3

Activity (Go SEA)

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