UCSF

ZINC36820271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 13 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) 2.63 5.18 -31.91 1 3 1 30 220.749 5
Hi High (pH 8-9.5) 2.63 3.36 -3 0 3 0 29 219.741 5

Activity (Go SEA)

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