UCSF

ZINC37999711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 0.13 1.06 -64.72 3 5 1 80 261.367 6
Hi High (pH 8-9.5) 0.13 -0.24 -18.29 2 5 0 75 260.359 6

Activity (Go SEA)

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