UCSF

ZINC20363304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 28 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) 3.71 13.07 -88.65 2 4 2 25 386.628 8
Hi High (pH 8-9.5) 3.71 12.78 -107.62 2 4 2 25 386.628 8
Hi High (pH 8-9.5) 3.71 10.57 -35.53 1 4 1 24 385.62 8
Mid Mid (pH 6-8) 3.71 13.39 -172.04 3 4 3 26 387.636 8

Activity (Go SEA)

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