UCSF

ZINC42462217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 No

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) 1.18 2.02 -35.78 4 5 1 66 243.375 4
Hi High (pH 8-9.5) 1.18 -0.13 -4.58 3 5 0 65 242.367 4

Activity (Go SEA)

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