UCSF

ZINC20376512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 0.80 6.23 -105.71 3 4 1 61 229.344 7
Hi High (pH 8-9.5) 0.80 4.82 -63.56 2 4 0 57 228.336 7
Mid Mid (pH 6-8) 0.80 3.97 -55.74 2 4 0 60 228.336 7

Activity (Go SEA)

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