UCSF

ZINC19635303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 34 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) 4.46 12.25 -64.84 3 5 1 54 455.626 8
Hi High (pH 8-9.5) 4.46 11.03 -14.26 2 5 0 49 454.618 8
Mid Mid (pH 6-8) 4.46 13.02 -43.74 3 5 1 50 455.626 8
Lo Low (pH 4.5-6) 4.46 14.21 -138.43 4 5 2 55 456.634 8

Activity (Go SEA)

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