UCSF

ZINC33733064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 5.62 11.19 -16.71 2 7 0 93 466.607 10
Hi High (pH 8-9.5) 5.81 10.17 -44.56 1 7 -1 100 465.599 10

Activity (Go SEA)

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