UCSF

ZINC04753595

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 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) 0.05 2.83 -22.6 2 8 0 113 242.235 5
Hi High (pH 8-9.5) 0.05 4.04 -59.5 1 8 -1 116 241.227 5

Activity (Go SEA)

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