UCSF

ZINC16399844

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 30 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) 4.31 9.29 -19.58 2 6 0 92 435.53 6
Hi High (pH 8-9.5) 4.77 8.17 -56.38 1 6 -1 95 434.522 6
Mid Mid (pH 6-8) 4.31 8.77 -22.83 2 6 0 92 435.53 6

Activity (Go SEA)

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