UCSF

ZINC01178587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 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) 3.99 8.18 -13.99 3 8 0 134 409.405 3
Lo Low (pH 4.5-6) 3.99 8.16 -69.71 4 8 1 135 410.413 3

Activity (Go SEA)

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