UCSF

ZINC33776702

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 3.87 12.51 -63.59 1 7 0 87 465.594 13
Hi High (pH 8-9.5) 3.87 10.3 -50.79 0 7 -1 86 464.586 13
Lo Low (pH 4.5-6) 3.87 11.22 -53.96 2 7 1 84 466.602 13

Activity (Go SEA)

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