UCSF

ZINC15013528

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 23 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) 5.48 6.47 -8.8 2 4 0 65 344.823 2
Hi High (pH 8-9.5) 4.99 7.11 -96.01 0 4 -2 67 342.807 3
Hi High (pH 8-9.5) 5.48 7.24 -45.29 1 4 -1 68 343.815 2
Hi High (pH 8-9.5) 5.93 4.7 -43.56 1 4 -1 69 343.815 2

Activity (Go SEA)

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