UCSF

ZINC19637563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 23 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) 4.40 10.84 -33.52 1 2 1 8 311.493 3
Hi High (pH 8-9.5) 4.40 9.35 -1.58 0 2 0 6 310.485 3

Activity (Go SEA)

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