UCSF

ZINC39911560

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 3.85 6.7 -18.71 3 8 0 108 477.561 10
Hi High (pH 8-9.5) 3.62 7.18 -62.8 1 8 -1 107 476.553 10
Hi High (pH 8-9.5) 3.62 7.03 -52.32 1 8 -1 107 476.553 10
Hi High (pH 8-9.5) 3.85 7.58 -45.62 2 8 -1 111 476.553 10

Activity (Go SEA)

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