UCSF

ZINC04256644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 30 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) 6.70 14.09 -14.5 1 6 0 88 423.538 6
Hi High (pH 8-9.5) 6.77 13.17 -36.06 0 6 -1 94 422.53 6

Activity (Go SEA)

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