UCSF

ZINC34321171

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 10 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) -0.32 -1.74 -37.03 3 3 1 40 145.226 2
Hi High (pH 8-9.5) -0.32 -2.93 -2.78 2 3 0 35 144.218 2
Mid Mid (pH 6-8) -0.32 0.74 -95.67 4 3 2 41 146.234 2

Activity (Go SEA)

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