UCSF

ZINC05483262

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 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) 3.57 6.26 -47.85 1 4 -1 69 391.628 3
Mid Mid (pH 6-8) 4.02 -3.02 -15.68 2 4 0 66 392.636 2
Mid Mid (pH 6-8) 2.99 -3.51 -9.29 1 4 0 63 392.636 3

Activity (Go SEA)

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