UCSF

ZINC70517149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 Yes

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) 4.06 7.23 -29.77 3 3 1 46 284.464 12
Hi High (pH 8-9.5) 4.06 6.12 -1.53 2 3 0 41 283.456 12

Activity (Go SEA)

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