UCSF

ZINC19507293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 No

Download: MOL2 SDF SMILES Flexibase

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) 0.33 -0.17 -10.75 0 6 0 80 267.31 3
Lo Low (pH 4.5-6) 0.33 1 -48.21 1 6 1 81 268.318 3

Activity (Go SEA)

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