UCSF

ZINC43966507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 1.10 2.71 -33.9 2 4 1 38 243.371 4
Hi High (pH 8-9.5) 1.10 1.86 -2.25 1 4 0 34 242.363 4
Mid Mid (pH 6-8) 1.10 3.74 -33.16 2 4 1 35 243.371 4

Activity (Go SEA)

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