UCSF

ZINC05687232

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 25 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) 2.88 7.51 -59.29 0 5 -1 70 336.367 4
Mid Mid (pH 6-8) 2.30 0.68 -10.34 0 5 0 63 337.375 4
Mid Mid (pH 6-8) 2.88 6.69 -14.73 1 5 0 67 337.375 4

Activity (Go SEA)

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