UCSF

ZINC19815697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 3.67 5.34 -55.13 1 5 -1 86 324.765 4
Hi High (pH 8-9.5) 3.67 5.39 -97.22 0 5 -2 88 323.757 4

Activity (Go SEA)

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