UCSF

ZINC44648460

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.92 6.21 -45.13 3 5 1 62 265.381 8
Hi High (pH 8-9.5) 1.92 4.87 -9.05 2 5 0 57 264.373 8
Mid Mid (pH 6-8) 1.92 6.55 -88.33 4 5 2 63 266.389 8

Activity (Go SEA)

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