UCSF

ZINC25359997

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 20 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) 2.35 4.31 -53.18 3 5 1 64 344.229 6
Hi High (pH 8-9.5) 2.35 2.88 -12.46 2 5 0 60 343.221 6

Activity (Go SEA)

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