UCSF

ZINC45339127

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 21 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) 3.17 3.13 -12.39 2 4 0 67 288.274 4
Hi High (pH 8-9.5) 3.17 3.9 -46.81 1 4 -1 70 287.266 4
Hi High (pH 8-9.5) 3.17 3.9 -54.08 1 4 -1 70 287.266 4

Activity (Go SEA)

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