UCSF

ZINC01005093

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 13 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) 2.04 -2.69 -9.01 1 3 0 46 199.275 3
Hi High (pH 8-9.5) 2.04 -2.22 -37.04 0 3 -1 48 198.267 3

Activity (Go SEA)

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