UCSF

ZINC42465238

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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) 1.12 8.59 -10.78 1 5 0 46 256.375 5
Hi High (pH 8-9.5) 1.85 8.62 -41.13 1 5 0 44 256.375 5
Hi High (pH 8-9.5) 1.85 8.7 -46.93 0 5 -1 43 255.367 5

Activity (Go SEA)

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