UCSF

ZINC00102236

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 5.03 10.24 -9.73 1 4 0 49 319.408 2
Mid Mid (pH 6-8) 4.57 11.57 -126.02 3 4 2 51 321.424 1
Mid Mid (pH 6-8) 4.57 11.13 -43.03 2 4 1 50 320.416 1

Activity (Go SEA)

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