UCSF

ZINC06813796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 3.71 9.83 -58.2 0 5 -1 74 392.818 5
Mid Mid (pH 6-8) 3.13 10.44 -12.22 0 5 0 68 393.826 5
Lo Low (pH 4.5-6) 3.71 9 -15.31 1 5 0 71 393.826 5

Activity (Go SEA)

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