UCSF

ZINC34944300

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) 3.76 9.39 -58.28 0 6 -1 73 453.946 6
Mid Mid (pH 6-8) 3.76 11.66 -72.34 1 6 0 74 454.954 6
Lo Low (pH 4.5-6) 3.76 10.76 -52.02 2 6 1 71 455.962 6

Activity (Go SEA)

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