UCSF

ZINC42554564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 13 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) 1.38 5.52 -98.23 4 2 2 32 186.343 6
Hi High (pH 8-9.5) 1.38 5.15 -28.98 3 2 1 30 185.335 6
Hi High (pH 8-9.5) 1.38 3.93 -41.86 3 2 1 31 185.335 6

Activity (Go SEA)

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