UCSF

ZINC70613901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 3.60 8.7 -105.81 3 2 2 21 228.424 5
Hi High (pH 8-9.5) 3.60 7.11 -32.01 2 2 1 20 227.416 5
Mid Mid (pH 6-8) 3.60 8.06 -29.2 2 2 1 16 227.416 5

Activity (Go SEA)

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