UCSF

ZINC04041541

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 29 No

Other Names:

MFCD03687191

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) 2.71 0.65 -47.01 2 6 1 74 394.495 8
Mid Mid (pH 6-8) 1.68 0.34 -43.16 1 6 1 71 394.495 9
Lo Low (pH 4.5-6) 1.68 1.03 -95.98 2 6 2 73 395.503 9

Activity (Go SEA)

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