UCSF

ZINC19486063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.46 2.16 -53.91 4 4 1 70 223.296 3
Hi High (pH 8-9.5) 1.46 1.89 -8.62 3 4 0 68 222.288 3

Activity (Go SEA)

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