UCSF

ZINC02253222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 31 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) -0.24 -2.1 -29.36 3 9 1 116 419.465 6
Lo Low (pH 4.5-6) -0.24 -1.99 -74.56 4 9 2 117 420.473 6

Activity (Go SEA)

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