UCSF

ZINC34991775

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.96 7.83 -46.09 2 3 1 35 394.127 9
Hi High (pH 8-9.5) 3.96 6.47 -4.27 1 3 0 30 393.119 9

Activity (Go SEA)

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