UCSF

ZINC19519177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) 1.41 4.96 -36.34 2 3 1 37 197.302 4
Hi High (pH 8-9.5) 1.41 3.69 -9.12 1 3 0 32 196.294 4

Activity (Go SEA)

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