UCSF

ZINC45188584

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 38 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) 8.07 16.53 -64.56 4 4 2 52 496.658 9
Hi High (pH 8-9.5) 8.07 16.22 -36.28 3 4 1 51 495.65 9

Activity (Go SEA)

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