UCSF

ZINC19884208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 25 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) 1.79 7.71 -73.47 1 6 0 78 360.435 6
Hi High (pH 8-9.5) 1.79 5.17 -59.6 0 6 -1 77 359.427 6
Lo Low (pH 4.5-6) 1.79 6.89 -51.22 2 6 1 75 361.443 6

Activity (Go SEA)

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