UCSF

ZINC09110150

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 26 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) 4.46 9.88 -52.01 0 4 -1 60 431.693 5
Mid Mid (pH 6-8) 4.46 9.6 -9.6 1 4 0 58 432.701 5
Mid Mid (pH 6-8) 3.88 9.99 -8.81 0 4 0 54 432.701 5

Activity (Go SEA)

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