UCSF

ZINC37037851

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.71 0.24 -93.16 5 5 2 64 230.356 6
Hi High (pH 8-9.5) -0.71 -2.32 -8.06 3 5 0 62 228.34 6
Mid Mid (pH 6-8) -0.71 -0.04 -36.99 4 5 1 63 229.348 6
Mid Mid (pH 6-8) -0.71 0.34 -108.59 5 5 2 64 230.356 6
Mid Mid (pH 6-8) -0.71 -1.95 -48.78 4 5 1 63 229.348 6

Activity (Go SEA)

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