UCSF

ZINC19518622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) -1.50 -0.06 -99.79 6 5 2 89 222.292 2
Hi High (pH 8-9.5) -1.50 -0.01 -40.74 5 5 1 87 221.284 2

Activity (Go SEA)

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