UCSF

ZINC03635677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.59 11.61 -47.63 0 3 -1 57 267.389 11
Lo Low (pH 4.5-6) 4.59 9.64 -8.83 1 3 0 54 268.397 11

Activity (Go SEA)

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