UCSF

ZINC37293014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 2.19 2.82 -13.93 3 5 0 73 250.346 5
Lo Low (pH 4.5-6) 2.19 2.93 -46.91 4 5 1 78 251.354 5

Activity (Go SEA)

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