UCSF

ZINC26937703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 24 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) 5.40 13.16 -53.88 0 3 -1 57 343.468 11
Lo Low (pH 4.5-6) 5.40 12.04 -15.1 1 3 0 54 344.476 11

Activity (Go SEA)

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