UCSF

ZINC34678758

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 4.91 14.27 -57.75 1 7 1 80 446.527 7
Hi High (pH 8-9.5) 4.91 12.02 -13.51 0 7 0 79 445.519 7

Activity (Go SEA)

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