UCSF

ZINC37857546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 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) 3.78 6.01 -8.15 1 5 0 63 385.847 3
Hi High (pH 8-9.5) 3.78 6.58 -40.18 0 5 -1 66 384.839 3
Lo Low (pH 4.5-6) 3.78 8.3 -40.65 2 5 1 64 386.855 3

Activity (Go SEA)

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