UCSF

ZINC08836893

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 38 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) 3.63 10.58 -52.83 0 10 -1 128 522.578 10
Mid Mid (pH 6-8) 3.05 0.32 -60.6 1 10 1 123 524.594 10
Mid Mid (pH 6-8) 3.63 12.91 -72.19 1 10 0 129 523.586 10

Activity (Go SEA)

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