UCSF

ZINC03634223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 21 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) 3.00 9.47 -39.86 1 4 1 31 286.399 5
Hi High (pH 8-9.5) 3.00 7.19 -8.49 0 4 0 30 285.391 5

Activity (Go SEA)

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