UCSF

ZINC13122405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 2.75 7.14 -37.29 0 7 -1 82 453.49 8
Mid Mid (pH 6-8) 3.19 8.56 -49.52 2 7 1 81 455.506 7
Mid Mid (pH 6-8) 2.75 9.48 -54.49 1 7 0 83 454.498 8

Activity (Go SEA)

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