UCSF

ZINC04809745

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 28 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) 4.30 8.4 -15.53 2 5 0 69 377.419 4
Hi High (pH 8-9.5) 4.30 9.14 -42.16 1 5 -1 72 376.411 4

Activity (Go SEA)

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