UCSF

ZINC25358079

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 29 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) 3.06 7.96 -42.96 2 6 1 53 399.511 8
Lo Low (pH 4.5-6) 3.06 9.36 -146.51 3 6 2 58 400.519 8

Activity (Go SEA)

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