UCSF

ZINC35311511

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 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) 1.65 3.62 -49.47 3 6 1 77 289.311 6
Hi High (pH 8-9.5) 1.65 2.25 -12.91 2 6 0 73 288.303 6

Activity (Go SEA)

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