UCSF

ZINC34944657

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 3.73 9.08 -57.34 0 6 -1 73 453.946 6
Mid Mid (pH 6-8) 3.73 11.35 -68.23 1 6 0 74 454.954 6
Lo Low (pH 4.5-6) 3.73 10.47 -47.53 2 6 1 71 455.962 6

Activity (Go SEA)

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