UCSF

ZINC04259041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 31 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) 3.42 5.85 -18.9 4 8 0 120 416.437 6
Hi High (pH 8-9.5) 3.42 6.62 -66.09 3 8 -1 123 415.429 6
Lo Low (pH 4.5-6) 3.42 6.11 -39.27 5 8 1 121 417.445 6

Activity (Go SEA)

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