UCSF

ZINC08383664

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 40 No

Other Names:

MFCD05155319

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) 3.49 -1.14 -57.81 2 9 1 98 543.596 8
Mid Mid (pH 6-8) 2.91 -1.3 -66.35 1 9 1 95 543.596 8

Activity (Go SEA)

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