UCSF

ZINC12219298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 30 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) 4.53 -1.28 -53 2 5 1 57 409.481 4
Lo Low (pH 4.5-6) 4.53 -1.2 -116.31 3 5 2 58 410.489 4

Activity (Go SEA)

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