UCSF

ZINC13618954

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 3.21 7.72 -58.82 0 7 -1 82 469.945 8
Mid Mid (pH 6-8) 3.66 8.93 -63.14 2 7 1 81 471.961 7
Mid Mid (pH 6-8) 3.21 10.04 -80.1 1 7 0 83 470.953 8

Activity (Go SEA)

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