UCSF

ZINC34369915

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 9 No

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) -1.18 -2.16 -47.74 4 4 1 68 131.155 0
Hi High (pH 8-9.5) -1.18 -1.14 -66.79 3 4 0 71 130.147 0
Mid Mid (pH 6-8) -1.18 -2.45 -6.84 3 4 0 67 130.147 0

Activity (Go SEA)

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