UCSF

ZINC35721039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 2.61 7.14 -57.9 1 4 -1 69 254.35 5
Lo Low (pH 4.5-6) 2.61 5.16 -11.95 2 4 0 66 255.358 5

Activity (Go SEA)

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