UCSF

ZINC37238164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 5.81 10.43 -84.21 0 4 -2 71 446.682 9
Mid Mid (pH 6-8) 5.27 12.24 -41.1 1 4 -1 65 447.69 9
Lo Low (pH 4.5-6) 4.73 13.68 -12.81 2 4 0 58 448.698 9

Activity (Go SEA)

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