UCSF

ZINC20402153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 1.45 3.65 -48.06 3 4 1 53 286.399 6
Mid Mid (pH 6-8) 1.45 5.99 -32.86 3 4 1 53 286.399 6
Mid Mid (pH 6-8) 1.45 6.06 -110.16 4 4 2 54 287.407 6
Lo Low (pH 4.5-6) 1.45 6.57 -188.24 5 4 3 55 288.415 6

Activity (Go SEA)

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