UCSF

ZINC19636023

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 2.64 7.86 -32.74 1 2 1 8 239.358 7
Hi High (pH 8-9.5) 2.64 5.26 -3.4 0 2 0 6 238.35 7
Mid Mid (pH 6-8) 2.64 7.66 -32.53 1 2 1 8 239.358 7
Lo Low (pH 4.5-6) 2.64 9.76 -104.71 2 2 2 9 240.366 7

Activity (Go SEA)

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