UCSF

ZINC19507931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) 0.03 0.74 -41.55 5 5 1 89 252.319 3
Mid Mid (pH 6-8) 0.03 -0.42 -14.93 4 5 0 84 251.311 3

Activity (Go SEA)

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