UCSF

ZINC45689892

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 3.62 6.82 -31.07 2 2 1 20 227.416 6
Hi High (pH 8-9.5) 3.62 8.4 -29.29 2 2 1 16 227.416 6
Mid Mid (pH 6-8) 3.62 8.46 -109.26 3 2 2 21 228.424 6

Activity (Go SEA)

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