UCSF

ZINC34820371

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 32 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) 5.45 13.54 -60.48 1 6 -1 90 430.459 4
Hi High (pH 8-9.5) 5.91 12.38 -119.17 0 6 -2 93 429.451 4

Activity (Go SEA)

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