UCSF

ZINC01863075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 20 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) -1.15 -4.29 -9.5 2 6 0 83 270.292 5
Lo Low (pH 4.5-6) -1.15 -4.07 -80.44 4 6 2 86 272.308 5
Lo Low (pH 4.5-6) -1.15 -4.18 -40.29 3 6 1 85 271.3 5

Activity (Go SEA)

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