UCSF

ZINC04095706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 Yes

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) -2.21 -7.36 -48.42 4 6 -1 121 179.148 4

Activity (Go SEA)

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