UCSF

ZINC20103323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 25 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) 2.96 9.88 -21.4 2 6 0 79 334.379 4
Hi High (pH 8-9.5) 2.96 9.42 -49.89 1 6 -1 78 333.371 4

Activity (Go SEA)

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