UCSF

ZINC00808364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 17 Yes

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) 1.39 5.52 -9.93 1 3 0 42 226.279 4
Lo Low (pH 4.5-6) 1.39 5.99 -42.23 2 3 1 43 227.287 4

Activity (Go SEA)

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