UCSF

ZINC34691536

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 25 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) 1.76 4.27 -11.43 1 5 0 53 352.45 7
Mid Mid (pH 6-8) 1.76 6.94 -55.11 2 5 1 54 353.458 7

Activity (Go SEA)

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