UCSF

ZINC20119919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.93 8.5 -73.93 1 7 0 87 409.486 9
Hi High (pH 8-9.5) 1.93 6.22 -56.61 0 7 -1 86 408.478 9
Lo Low (pH 4.5-6) 1.93 7.68 -56.7 2 7 1 84 410.494 9

Activity (Go SEA)

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