UCSF

ZINC36327191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) 1.82 3.94 -11.62 1 5 0 50 261.325 3
Lo Low (pH 4.5-6) 1.82 4.39 -30.93 2 5 1 51 262.333 3

Activity (Go SEA)

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