UCSF

ZINC03357956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 15 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) 2.96 -3.06 -9.43 1 3 0 46 227.329 5
Hi High (pH 8-9.5) 2.96 -2.49 -40.87 0 3 -1 48 226.321 5

Activity (Go SEA)

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