UCSF

ZINC08738557

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 3.39 10.55 -57.8 0 8 -1 113 469.47 7
Mid Mid (pH 6-8) 2.81 2.14 -13.68 0 8 0 106 470.478 7
Lo Low (pH 4.5-6) 3.39 9.74 -15.53 1 8 0 110 470.478 7

Activity (Go SEA)

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