UCSF

ZINC61807115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) -2.53 -3.27 -41.44 7 6 1 117 233.317 7
Mid Mid (pH 6-8) -2.53 -5.11 -15.51 6 6 0 115 232.309 7

Activity (Go SEA)

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