UCSF

ZINC19639844

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) 2.13 4.65 -40.94 3 4 1 55 243.371 5
Hi High (pH 8-9.5) 2.13 4.4 -37.41 3 4 1 55 243.371 5
Mid Mid (pH 6-8) 2.13 3.37 -4.29 2 4 0 50 242.363 5

Activity (Go SEA)

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