UCSF

ZINC04171251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 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) 5.12 12.07 -61.28 0 5 -1 70 410.465 9
Mid Mid (pH 6-8) 5.12 1.92 -28.49 1 5 0 66 411.473 8
Mid Mid (pH 6-8) 4.53 2 -28.08 0 5 0 63 411.473 9

Activity (Go SEA)

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