UCSF

ZINC27229305

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 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) 5.13 7.82 -8.26 1 5 0 64 354.431 4
Mid Mid (pH 6-8) 4.64 7.4 -43.06 0 5 -1 63 353.423 5
Lo Low (pH 4.5-6) 4.64 7.78 -14.07 1 5 0 60 354.431 5

Activity (Go SEA)

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