UCSF

ZINC28242102

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 24 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) 3.21 8.36 -12.32 1 6 0 73 364.236 3
Hi High (pH 8-9.5) 3.27 7.41 -36.98 0 6 -1 79 363.228 3

Activity (Go SEA)

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