UCSF

ZINC04261071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.18 5.03 -17.75 4 8 0 120 408.458 6
Hi High (pH 8-9.5) 3.18 5.8 -65.54 3 8 -1 123 407.45 6
Lo Low (pH 4.5-6) 3.18 5.32 -38.06 5 8 1 121 409.466 6

Activity (Go SEA)

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