UCSF

ZINC40460927

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 1.04 4.86 -17.16 2 5 0 75 283.331 3
Lo Low (pH 4.5-6) 1.04 5.32 -53.05 3 5 1 76 284.339 3

Activity (Go SEA)

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