UCSF

ZINC45702731

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 0.37 4.08 -77.53 2 6 0 91 280.39 10
Hi High (pH 8-9.5) 0.37 2.21 -50.8 1 6 -1 90 279.382 10

Activity (Go SEA)

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