UCSF

ZINC01497606

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 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) 5.02 6.89 -13.93 3 5 0 74 367.836 5
Hi High (pH 8-9.5) 5.02 7.66 -56.32 2 5 -1 77 366.828 5
Lo Low (pH 4.5-6) 5.02 7.21 -42.66 4 5 1 75 368.844 5

Activity (Go SEA)

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