UCSF

ZINC19939176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 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) 3.14 9.68 -75.12 1 6 0 74 414.889 7
Hi High (pH 8-9.5) 3.14 7.15 -55.58 0 6 -1 73 413.881 7
Lo Low (pH 4.5-6) 3.14 8.86 -56.99 2 6 1 71 415.897 7

Activity (Go SEA)

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