UCSF

ZINC13825428

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 34 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) -4.71 -6.95 -89.12 12 16 0 286 488.502 16
Ref Reference (pH 7) -4.65 -6.04 -82.36 12 16 0 283 488.502 17

Activity (Go SEA)

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