UCSF

ZINC00823558

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.58 8.28 -51.04 2 9 -1 136 388.4 5
Mid Mid (pH 6-8) 3.58 7.33 -10.26 3 9 0 133 389.408 5

Activity (Go SEA)

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