UCSF

ZINC34660201

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 No

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) 1.43 6.05 -68.74 3 7 1 101 282.32 8
Hi High (pH 8-9.5) 1.43 4.61 -22.33 2 7 0 96 281.312 8

Activity (Go SEA)

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