UCSF

ZINC36326469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) 2.34 4.11 -11.02 2 3 0 38 282.384 4
Lo Low (pH 4.5-6) 2.34 6.29 -44.79 3 3 1 40 283.392 4

Activity (Go SEA)

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