UCSF

ZINC33121198

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 31 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) 2.84 6.59 -54.52 3 7 1 86 445.609 8
Hi High (pH 8-9.5) 2.84 5.17 -15.69 2 7 0 82 444.601 8
Hi High (pH 8-9.5) 2.84 6.66 -71.49 2 7 0 88 444.601 8

Activity (Go SEA)

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