UCSF

ZINC36732294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) -0.20 1.13 -74.87 5 7 1 126 226.212 5
Hi High (pH 8-9.5) -0.20 0.73 -21.54 4 7 0 124 225.204 5

Activity (Go SEA)

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