UCSF

ZINC36875271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.19 4.22 -50.56 3 3 1 40 253.341 3
Hi High (pH 8-9.5) 0.19 3.79 -3.68 2 3 0 38 252.333 3
Lo Low (pH 4.5-6) 0.19 5.8 -140.44 4 3 2 41 254.349 3

Activity (Go SEA)

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