UCSF

ZINC42458840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.00 1.88 -96.31 4 4 2 45 243.395 5
Hi High (pH 8-9.5) 0.00 1.81 -34.63 3 4 1 43 242.387 5
Hi High (pH 8-9.5) 0.00 1.63 -27.49 3 4 1 43 242.387 5
Mid Mid (pH 6-8) 0.00 1.68 -113.59 4 4 2 45 243.395 5

Activity (Go SEA)

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