UCSF

ZINC34941038

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 2.16 4.34 -59.91 1 8 -1 102 451.499 8
Mid Mid (pH 6-8) 2.16 6.6 -74.35 2 8 0 104 452.507 8
Lo Low (pH 4.5-6) 2.16 5.84 -56.6 3 8 1 101 453.515 8

Activity (Go SEA)

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