UCSF

ZINC60055945

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 22 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) 4.35 10.46 -59.31 0 4 -1 58 334.182 3
Lo Low (pH 4.5-6) 4.35 10.9 -60.25 1 4 0 59 335.19 3

Activity (Go SEA)

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