UCSF

ZINC05501657

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 21 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) 3.08 10.24 -11.45 1 4 0 63 289.375 9
Mid Mid (pH 6-8) 3.83 10.19 -43 1 4 -1 69 288.367 8

Activity (Go SEA)

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