UCSF

ZINC36851208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) -0.42 2.17 -45.81 2 5 1 63 215.273 5
Hi High (pH 8-9.5) -0.42 1.16 -8.26 1 5 0 59 214.265 5
Mid Mid (pH 6-8) -0.42 1.18 -8.01 1 5 0 59 214.265 5

Activity (Go SEA)

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