UCSF

ZINC37108641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 0.60 6.05 -15.43 0 3 0 37 171.24 4
Hi High (pH 8-9.5) 0.61 5.1 -49.62 0 3 -1 43 170.232 4

Activity (Go SEA)

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