UCSF

ZINC46027088

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 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) 3.34 8.86 -40.1 2 4 1 43 299.394 6
Hi High (pH 8-9.5) 3.34 6.32 -10.26 1 4 0 42 298.386 6

Activity (Go SEA)

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