UCSF

ZINC13940401

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 33 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) 2.14 11.9 -8.2 1 8 0 77 447.539 7
Mid Mid (pH 6-8) 2.14 12.77 -36.58 2 8 1 79 448.547 6

Activity (Go SEA)

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