UCSF

ZINC02143127

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 24 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) 6.54 9.69 -4.2 1 3 0 38 463.464 4
Hi High (pH 8-9.5) 6.49 8.18 -32.4 0 3 -1 45 462.456 4

Activity (Go SEA)

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