UCSF

ZINC13124098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 30 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) 4.83 11.13 -53.41 1 7 -1 104 425.486 8
Mid Mid (pH 6-8) 4.33 10.56 -96.65 0 7 -2 103 424.478 9
Lo Low (pH 4.5-6) 4.33 11.09 -57.48 1 7 -1 101 425.486 9

Activity (Go SEA)

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