UCSF

ZINC34577329

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 37 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) 3.18 14.08 -43.57 1 6 1 59 495.695 16
Hi High (pH 8-9.5) 3.18 11.92 -12.74 0 6 0 58 494.687 16
Mid Mid (pH 6-8) 3.18 16.21 -115.83 2 6 2 60 496.703 16
Mid Mid (pH 6-8) 3.18 14.44 -89.9 2 6 2 60 496.703 16
Lo Low (pH 4.5-6) 3.18 14.82 -155.8 3 6 3 62 497.711 16

Activity (Go SEA)

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