UCSF

ZINC34669882

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 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) 0.86 1.55 -15.66 1 4 0 67 255.32 2
Hi High (pH 8-9.5) 1.32 -0.42 -50.68 0 4 -1 70 254.312 2

Activity (Go SEA)

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