UCSF

ZINC20228185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 27 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 5.26 -45.77 1 7 -1 97 383.405 4
Hi High (pH 8-9.5) 1.79 6.17 -101.11 0 7 -2 99 382.397 4
Lo Low (pH 4.5-6) 1.33 6.34 -15.01 2 7 0 94 384.413 4

Activity (Go SEA)

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