UCSF

ZINC00272492

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 3.54 -3.06 -9.43 1 3 0 46 293.413 4
Hi High (pH 8-9.5) 3.54 -2.56 -45.67 0 3 -1 48 292.405 4

Activity (Go SEA)

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