UCSF

ZINC13582912

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 23 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) 3.62 9.75 -8.97 1 4 0 54 366.273 3
Mid Mid (pH 6-8) 3.62 8.76 -44.87 0 4 -1 56 365.265 4
Lo Low (pH 4.5-6) 3.62 9.59 -32.79 2 4 1 56 367.281 3

Activity (Go SEA)

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