UCSF

ZINC31980849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 1.37 2.15 -21.66 2 5 0 75 268.338 4
Hi High (pH 8-9.5) 1.37 2.23 -55.95 1 5 -1 77 267.33 4

Activity (Go SEA)

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