UCSF

ZINC36785634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 11 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) 1.33 2.82 -36.24 2 2 1 20 157.281 5
Hi High (pH 8-9.5) 1.33 1.37 -0.9 1 2 0 15 156.273 5
Mid Mid (pH 6-8) 1.33 5.26 -105.61 3 2 2 21 158.289 5
Mid Mid (pH 6-8) 1.33 3.8 -30.57 2 2 1 16 157.281 5

Activity (Go SEA)

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