UCSF

ZINC20137077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 27 Yes

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) 0.82 2.15 -15.42 2 8 0 106 392.481 3
Hi High (pH 8-9.5) 1.73 0.01 -51.05 1 8 -1 109 391.473 3
Mid Mid (pH 6-8) 0.82 4.31 -57.3 3 8 1 108 393.489 3

Activity (Go SEA)

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