UCSF

ZINC35253180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 3.98 9.09 -58.23 2 4 1 62 314.203 5
Hi High (pH 8-9.5) 3.98 7.72 -7.35 1 4 0 58 313.195 5

Activity (Go SEA)

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