UCSF

ZINC61635437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 16 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) 0.05 4.54 -49.17 2 5 1 51 243.356 6
Hi High (pH 8-9.5) 0.05 2.06 -14.05 1 5 0 50 242.348 6

Activity (Go SEA)

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