UCSF

ZINC19587745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 4.80 12.19 -107.17 3 4 2 38 403.567 5
Hi High (pH 8-9.5) 4.80 9.84 -51.27 2 4 1 37 402.559 5

Activity (Go SEA)

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