UCSF

ZINC44068627

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 25 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) 0.21 2.15 -24.91 4 7 0 122 339.351 4
Hi High (pH 8-9.5) 0.67 1.49 -59.38 3 7 -1 125 338.343 4

Activity (Go SEA)

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