UCSF

ZINC34874433

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 30 No

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) 2.84 7.72 -31.43 2 6 0 88 399.45 5
Hi High (pH 8-9.5) 2.84 8.5 -72.09 1 6 -1 91 398.442 5

Activity (Go SEA)

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