UCSF

ZINC42456807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.50 4.62 -99.67 4 3 2 41 216.369 8
Hi High (pH 8-9.5) 1.50 5.17 -39.63 3 3 1 44 215.361 8

Activity (Go SEA)

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