UCSF

ZINC40714629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 23 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) 2.53 9.26 -93.84 3 4 2 42 336.501 7
Hi High (pH 8-9.5) 2.53 7.6 -33.79 2 4 1 41 335.493 7

Activity (Go SEA)

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