UCSF

ZINC03985001

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 24 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) 1.49 -0.75 -24.06 1 5 0 62 322.364 4

Activity (Go SEA)

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