UCSF

ZINC44123935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.91 8.19 -60.29 3 11 0 144 419.438 7
Hi High (pH 8-9.5) 0.91 7.86 -54.3 2 11 -1 143 418.43 7
Lo Low (pH 4.5-6) 0.91 6.21 -35.63 4 11 1 142 420.446 7

Activity (Go SEA)

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