UCSF

ZINC00704760

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 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) 6.17 7.36 -8.75 2 4 0 65 385.25 4
Hi High (pH 8-9.5) 6.17 8.13 -47.36 1 4 -1 68 384.242 4
Lo Low (pH 4.5-6) 6.17 7.85 -35.94 3 4 1 67 386.258 4

Activity (Go SEA)

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