UCSF

ZINC19840101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.93 2.87 -49.24 3 4 1 54 223.296 5
Hi High (pH 8-9.5) 0.93 3.67 -82.62 2 4 0 57 222.288 5

Activity (Go SEA)

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