UCSF

ZINC37227395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) -0.74 -1.44 -42.52 4 4 1 63 174.268 6
Hi High (pH 8-9.5) -0.74 -2.65 -7.46 3 4 0 58 173.26 6
Mid Mid (pH 6-8) -0.74 1.01 -112.86 5 4 2 64 175.276 6
Mid Mid (pH 6-8) -0.74 -0.19 -38.21 4 4 1 60 174.268 6

Activity (Go SEA)

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