UCSF

ZINC00781585

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 3.75 7.19 -13.62 1 5 0 68 342.42 5
Hi High (pH 8-9.5) 3.75 7.09 -53.74 0 5 -1 70 341.412 5

Activity (Go SEA)

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