UCSF

ZINC28232672

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 16 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) 0.78 3.56 -20.21 1 5 0 64 239.3 3
Hi High (pH 8-9.5) 0.96 2.53 -48.44 0 5 -1 70 238.292 3

Activity (Go SEA)

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