UCSF

ZINC00062922

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 2.47 2.72 -17.83 1 7 0 86 325.324 5
Hi High (pH 8-9.5) 2.54 0.6 -54.31 0 7 -1 93 324.316 5

Activity (Go SEA)

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