UCSF

ZINC08439440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 40 No

Other Names:

MFCD04153577

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) 4.13 0.13 -23.08 1 12 0 158 553.568 14
Mid Mid (pH 6-8) 4.31 0.21 -21.5 1 12 0 158 553.568 14
Mid Mid (pH 6-8) 4.31 1.42 -25.79 1 12 0 158 553.568 14
Mid Mid (pH 6-8) 4.13 0.13 -22.45 1 12 0 158 553.568 14

Activity (Go SEA)

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