UCSF

ZINC44725152

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) -0.70 4.01 -50.47 2 5 1 53 228.316 9
Hi High (pH 8-9.5) -0.70 2.6 -9.58 1 5 0 48 227.308 9
Mid Mid (pH 6-8) -0.70 4.48 -96.25 3 5 2 54 229.324 9

Activity (Go SEA)

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