UCSF

ZINC27553728

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 12 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) 1.20 5.34 -38.01 1 3 1 31 170.232 2
Hi High (pH 8-9.5) 1.20 2.88 -4.42 0 3 0 30 169.224 2

Activity (Go SEA)

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