UCSF

ZINC32694306

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 36 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) 3.97 9.65 -45.62 0 10 -1 139 506.878 7
Lo Low (pH 4.5-6) 3.51 11.42 -16.81 1 10 0 136 507.886 7

Activity (Go SEA)

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