UCSF

ZINC07810889

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2006 29 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) 2.56 9.21 -18.14 1 7 0 85 395.459 8
Hi High (pH 8-9.5) 3.02 6.49 -52.99 0 7 -1 88 394.451 8

Activity (Go SEA)

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