UCSF

ZINC13469337

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 22 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) 4.68 9.66 -10.03 1 3 0 46 331.202 3
Hi High (pH 8-9.5) 5.13 7.33 -50.63 0 3 -1 49 330.194 3

Activity (Go SEA)

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