UCSF

ZINC62038580

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 32 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) 6.75 8.3 -16.1 3 6 0 95 492.066 5
Hi High (pH 8-9.5) 7.21 6.93 -47.96 2 6 -1 98 491.058 5

Activity (Go SEA)

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