UCSF

ZINC20434246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) -1.57 -2.96 -54.61 5 6 1 100 242.299 2
Hi High (pH 8-9.5) -1.57 -4.27 -25.07 4 6 0 96 241.291 2

Activity (Go SEA)

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