UCSF

ZINC08837708

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 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) 3.64 8.23 -59.57 0 7 -1 82 463.554 9
Mid Mid (pH 6-8) 3.05 -0.53 -47.2 1 7 1 77 465.57 9
Mid Mid (pH 6-8) 3.64 10.59 -69.36 1 7 0 83 464.562 9

Activity (Go SEA)

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