UCSF

ZINC19881629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) 2.42 5.53 -35.42 2 3 1 35 224.324 7
Hi High (pH 8-9.5) 2.42 4.29 -5.32 1 3 0 30 223.316 7

Activity (Go SEA)

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