UCSF

ZINC34699331

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 5.11 14.46 -66.67 1 5 1 43 477.6 9
Hi High (pH 8-9.5) 5.11 11.99 -12.63 0 5 0 42 476.592 9

Activity (Go SEA)

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