UCSF

ZINC59540404

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 11 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) 1.55 2.75 -6.83 1 2 0 29 193.337 4
Hi High (pH 8-9.5) 1.55 3.29 -44.07 1 2 -1 29 192.329 4

Activity (Go SEA)

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