UCSF

ZINC08695302

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.37 10.99 -49.22 2 7 1 84 480.629 14
Mid Mid (pH 6-8) 3.79 11.65 -59.78 1 7 1 81 480.629 14
Lo Low (pH 4.5-6) 4.82 10.96 -129.18 3 7 2 85 481.637 13
Lo Low (pH 4.5-6) 3.79 11.94 -127.4 2 7 2 82 481.637 14

Activity (Go SEA)

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