UCSF

ZINC04452902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 28 No

Other Names:

MFCD11983509

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) 3.24 3.18 -64.79 2 6 1 108 374.468 3
Mid Mid (pH 6-8) 3.24 3.01 -109.09 3 6 2 110 375.476 3

Activity (Go SEA)

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