UCSF

ZINC28903378

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 22 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) 1.44 5.51 -59.94 3 5 1 63 308.377 5
Hi High (pH 8-9.5) 1.44 3.16 -22.19 2 5 0 61 307.369 5

Activity (Go SEA)

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