UCSF

ZINC20590785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 26 Yes

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) 4.64 7.47 -9.14 1 5 0 52 366.49 3
Ref Reference (pH 7) 4.08 8.43 -15.55 1 5 0 48 366.49 4
Mid Mid (pH 6-8) 3.90 8.44 -36.57 1 5 0 56 366.49 4
Lo Low (pH 4.5-6) 4.08 10.58 -51.41 2 5 1 50 367.498 4

Activity (Go SEA)

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