UCSF

ZINC20102817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 34 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) 3.97 7.85 -53.49 0 7 -1 82 504.39 7
Mid Mid (pH 6-8) 3.97 10.2 -70.19 1 7 0 83 505.398 7

Activity (Go SEA)

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