UCSF

ZINC19927991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 24 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) 0.92 5.93 -74.73 1 7 0 91 330.34 6
Hi High (pH 8-9.5) 0.92 3.4 -59.17 0 7 -1 90 329.332 6
Lo Low (pH 4.5-6) 0.92 5.11 -51.46 2 7 1 88 331.348 6

Activity (Go SEA)

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