UCSF

ZINC35633550

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 1.47 2.34 -53.72 3 5 1 72 299.416 6
Hi High (pH 8-9.5) 1.47 1.16 -10.25 2 5 0 67 298.408 6

Activity (Go SEA)

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