UCSF

ZINC42413591

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 3.25 10.18 -15.26 0 2 0 34 218.296 6
Hi High (pH 8-9.5) 4.00 9.08 -52.44 0 2 -1 40 217.288 5

Activity (Go SEA)

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