UCSF

ZINC08918578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 31 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) 0.30 -2.13 -24.85 7 13 0 193 431.409 6
Lo Low (pH 4.5-6) 0.30 -1.87 -39.8 8 13 1 195 432.417 6
Lo Low (pH 4.5-6) 0.30 -6.25 -40.52 8 13 1 195 432.417 6

Activity (Go SEA)

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