UCSF

ZINC59539672

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 1.72 3.06 -7.03 1 2 0 29 207.364 5
Hi High (pH 8-9.5) 1.72 3.6 -45.43 1 2 -1 29 206.356 5

Activity (Go SEA)

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