UCSF

ZINC03646429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 21 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) -0.95 5.73 -247.19 1 8 -3 142 387.143 11
Mid Mid (pH 6-8) -0.95 4.66 -127.75 2 8 -2 139 388.151 11

Activity (Go SEA)

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