UCSF

ZINC19794535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 22 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) 3.22 11.33 -101.47 2 3 2 18 302.462 6
Hi High (pH 8-9.5) 3.22 6.64 -3.46 0 3 0 16 300.446 6
Mid Mid (pH 6-8) 3.22 8.97 -33.04 1 3 1 17 301.454 6

Activity (Go SEA)

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