UCSF

ZINC36617361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 2.98 5.45 -14.31 1 7 0 94 399.204 3
Hi High (pH 8-9.5) 3.05 3.69 -38.88 0 7 -1 100 398.196 3

Activity (Go SEA)

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