UCSF

ZINC34933961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 4.91 10.13 -54.32 0 7 -1 82 512.026 11
Mid Mid (pH 6-8) 4.91 12.39 -68.43 1 7 0 83 513.034 11
Lo Low (pH 4.5-6) 4.91 11.64 -52.94 2 7 1 81 514.042 11

Activity (Go SEA)

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