UCSF

ZINC09013564

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 25 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) 2.77 11.76 -34.56 2 5 1 61 331.399 1
Mid Mid (pH 6-8) 1.66 6.75 -14.53 1 6 0 68 346.427 5
Mid Mid (pH 6-8) 2.77 11.29 -14.35 1 5 0 60 330.391 1

Activity (Go SEA)

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