UCSF

ZINC37912169

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 15 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) 1.68 5.23 -12.29 2 3 0 42 221.329 2
Lo Low (pH 4.5-6) 1.68 5.67 -41.81 3 3 1 43 222.337 2

Activity (Go SEA)

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