UCSF

ZINC15013259

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 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) 5.30 11.25 -8.12 1 4 0 50 363.417 3
Hi High (pH 8-9.5) 5.76 9.9 -39.32 0 4 -1 53 362.409 3
Hi High (pH 8-9.5) 5.76 9.23 -40.66 0 4 -1 53 362.409 3

Activity (Go SEA)

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