UCSF

ZINC41201605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 2.74 8.31 -34.94 2 2 1 29 283.486 6
Hi High (pH 8-9.5) 2.74 7.37 -4.19 1 2 0 25 282.478 6

Activity (Go SEA)

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