UCSF

ZINC19633089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 19 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) 4.18 9.44 -40.99 1 2 1 8 304.285 8
Hi High (pH 8-9.5) 4.18 7.11 -2.46 0 2 0 6 303.277 8
Mid Mid (pH 6-8) 4.18 9.42 -38.34 1 2 1 8 304.285 8
Lo Low (pH 4.5-6) 4.18 11.38 -115.54 2 2 2 9 305.293 8

Activity (Go SEA)

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