UCSF

ZINC00726588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 26 No

Other Names:

MFCD00717945

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) 3.80 2.16 -9.34 0 4 0 55 365.351 4
Mid Mid (pH 6-8) 3.80 2.09 -12.93 0 4 0 55 365.351 4
Mid Mid (pH 6-8) 3.98 3.53 -10.98 0 4 0 55 365.351 4
Mid Mid (pH 6-8) 3.98 2.22 -10.04 0 4 0 55 365.351 4

Activity (Go SEA)

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