UCSF

ZINC35689990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 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) 1.93 5.15 -8.68 1 3 0 42 285.185 4
Lo Low (pH 4.5-6) 1.93 5.61 -42.01 2 3 1 43 286.193 4

Activity (Go SEA)

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