UCSF

ZINC33762183

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 3.37 8.95 -64.34 0 9 -1 105 511.595 13
Mid Mid (pH 6-8) 3.37 11.28 -84.33 1 9 0 106 512.603 13
Lo Low (pH 4.5-6) 3.37 10.32 -60 2 9 1 103 513.611 13

Activity (Go SEA)

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