UCSF

ZINC59861864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 29 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) 6.44 16.48 -35.34 1 2 1 14 386.559 9
Hi High (pH 8-9.5) 6.44 14.06 -4.84 0 2 0 12 385.551 9

Activity (Go SEA)

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