UCSF

ZINC07323475

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2006 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.98 2.59 -17.42 1 7 0 89 361.423 4
Hi High (pH 8-9.5) 1.98 2.66 -50.21 0 7 -1 91 360.415 4
Lo Low (pH 4.5-6) 1.98 3.32 -42.96 2 7 1 90 362.431 4

Activity (Go SEA)

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