UCSF

ZINC07093571

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 19 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) 1.08 4.92 -55.92 3 4 1 59 256.329 6
Hi High (pH 8-9.5) 1.08 3.56 -12.22 2 4 0 54 255.321 6

Activity (Go SEA)

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