UCSF

ZINC53074455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 31 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) 1.62 -3.26 -50.18 6 10 1 151 427.437 5
Mid Mid (pH 6-8) 1.62 -4.81 -15.6 5 10 0 157 426.429 5

Activity (Go SEA)

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