UCSF

ZINC36358320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 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) 1.33 7.11 -19.27 3 8 0 108 392.415 6
Mid Mid (pH 6-8) 1.33 7.57 -49.14 4 8 1 110 393.423 6

Activity (Go SEA)

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