UCSF

ZINC12434613

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 32 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) 2.47 13.18 -108.35 2 5 2 42 444.57 6
Lo Low (pH 4.5-6) 2.47 13.46 -158.59 3 5 3 43 445.578 6

Activity (Go SEA)

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