UCSF

ZINC02821911

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 22 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) 4.35 9.16 -42.96 2 3 1 35 341.258 9
Hi High (pH 8-9.5) 4.35 7.74 -6.85 1 3 0 30 340.25 9

Activity (Go SEA)

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