UCSF

ZINC17045732

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 21 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) 1.82 7.06 -59.16 3 6 1 75 288.375 7
Hi High (pH 8-9.5) 2.28 6.95 -61.96 2 6 0 78 287.367 7

Activity (Go SEA)

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