UCSF

ZINC40505328

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 36 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) 5.60 15.87 -60.93 1 5 1 64 483.632 10
Hi High (pH 8-9.5) 5.60 13.64 -18.26 0 5 0 63 482.624 10

Activity (Go SEA)

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