UCSF

ZINC19997240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 4.44 9.03 -56.64 0 6 -1 73 467.973 7
Mid Mid (pH 6-8) 4.44 11.38 -67.64 1 6 0 74 468.981 7
Lo Low (pH 4.5-6) 4.44 10.55 -50.08 2 6 1 71 469.989 7

Activity (Go SEA)

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