UCSF

ZINC04043840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 25 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) 3.74 11.78 -57.1 0 5 -1 83 333.319 3

Activity (Go SEA)

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