UCSF

ZINC36612948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 35 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) 3.18 6.7 -17.73 0 8 0 81 474.492 4
Mid Mid (pH 6-8) 3.18 8.93 -73.49 1 8 1 82 475.5 4

Activity (Go SEA)

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