UCSF

ZINC70614052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 13 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) 2.88 8.4 -33.98 1 1 1 4 180.315 3
Hi High (pH 8-9.5) 2.88 6.32 -1.52 0 1 0 3 179.307 3

Activity (Go SEA)

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