UCSF

ZINC25146941

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 31 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) 6.59 14.76 -47.55 1 4 1 33 452.409 7
Hi High (pH 8-9.5) 6.59 12.25 -7.14 0 4 0 32 451.401 7
Lo Low (pH 4.5-6) 6.59 15.08 -85.7 2 4 2 35 453.417 7

Activity (Go SEA)

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