UCSF

ZINC36678553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 1.95 6.35 -100.19 5 3 2 56 221.348 6
Mid Mid (pH 6-8) -1.33 6.32 -27.36 5 3 1 56 220.34 6

Activity (Go SEA)

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