UCSF

ZINC59398742

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 35 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) 5.54 10.82 -53.94 0 9 -1 134 492.895 5
Lo Low (pH 4.5-6) 5.08 13.53 -14.06 1 9 0 131 493.903 5

Activity (Go SEA)

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