UCSF

ZINC08383681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 39 No

Other Names:

MFCD05155320

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) 1.39 -1.16 -57.61 2 11 1 117 541.577 9
Mid Mid (pH 6-8) 0.81 -1.28 -68.12 1 11 1 114 541.577 9

Activity (Go SEA)

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