UCSF

ZINC36386086

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 29 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) -0.98 1.33 -21.19 2 10 0 127 423.495 6
Hi High (pH 8-9.5) -0.08 -0.81 -53.54 1 10 -1 130 422.487 6

Activity (Go SEA)

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