UCSF

ZINC06013560

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2006 35 No

Other Names:

MFCD03008988

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) 2.63 -3.78 -57.16 2 8 1 99 498.625 8
Mid Mid (pH 6-8) 2.04 -3.86 -69.42 1 8 1 96 498.625 8

Activity (Go SEA)

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