UCSF

ZINC08748555

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 28 Yes

Other Names:

MFCD08728311

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) 3.65 -1.1 -53.36 4 5 1 72 407.441 3
Lo Low (pH 4.5-6) 3.65 -1.06 -112.57 5 5 2 73 408.449 3

Activity (Go SEA)

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