UCSF

ZINC05043830

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 22 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) 4.13 -0.12 -36.61 2 3 1 33 305.486 4

Activity (Go SEA)

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