UCSF

ZINC02468880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 15 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) -1.37 -1.96 -87.43 6 5 2 83 222.329 10
Hi High (pH 8-9.5) -1.37 -3.39 -40.95 5 5 1 78 221.321 10

Activity (Go SEA)

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