UCSF

ZINC33153013

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 22 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) 5.67 8.96 -8.59 1 3 0 45 328.824 2
Ref Reference (pH 7) 5.18 8.73 -41.92 0 3 -1 44 327.816 3
Hi High (pH 8-9.5) 6.13 6.95 -48.93 0 3 -1 48 327.816 2

Activity (Go SEA)

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