UCSF

ZINC70613589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 2.62 6.22 -32.44 3 3 1 43 240.396 3
Hi High (pH 8-9.5) 2.62 4.3 -4.87 2 3 0 42 239.388 3

Activity (Go SEA)

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