UCSF

ZINC02791416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 35 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) 6.33 14.96 -53.69 1 6 -1 61 497.57 6
Ref Reference (pH 7) 5.78 15.09 -42.15 3 6 1 68 499.586 6
Hi High (pH 8-9.5) 5.78 14.57 -11.85 2 6 0 67 498.578 6
Hi High (pH 8-9.5) 6.51 14.67 -42.88 1 6 -1 64 497.57 6
Mid Mid (pH 6-8) 6.51 14.74 -44.7 2 6 0 65 498.578 6

Activity (Go SEA)

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