UCSF

ZINC19226687

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 24 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) 4.04 11.26 -102.83 2 3 2 12 372.022 6
Hi High (pH 8-9.5) 4.04 9.45 -34.29 1 3 1 11 371.014 6
Mid Mid (pH 6-8) 4.04 9.3 -36.31 1 3 1 11 371.014 6
Mid Mid (pH 6-8) 4.04 13.6 -178.73 3 3 3 13 373.03 6
Lo Low (pH 4.5-6) 4.04 11.41 -83.87 2 3 2 12 372.022 6

Activity (Go SEA)

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