UCSF

ZINC42915886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.98 8.66 -53.73 3 3 1 45 284.358 4
Hi High (pH 8-9.5) 2.98 8.33 -7.91 2 3 0 44 283.35 4
Mid Mid (pH 6-8) 2.98 9.14 -117.89 4 3 2 47 285.366 4

Activity (Go SEA)

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