UCSF

ZINC00249225

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 2.25 -2.76 -15.55 1 6 0 81 335.381 6
Hi High (pH 8-9.5) 2.25 -2.19 -44.59 0 6 -1 83 334.373 6

Activity (Go SEA)

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