UCSF

ZINC01554609

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 35 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) 1.47 -1.35 -17.43 5 10 0 155 482.441 4
Hi High (pH 8-9.5) 1.47 -0.35 -56.17 4 10 -1 158 481.433 4

Activity (Go SEA)

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