UCSF

ZINC34920437

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 0.64 3.64 -21.41 1 9 0 91 472.586 6
Mid Mid (pH 6-8) 0.64 5.92 -66.87 2 9 1 93 473.594 6

Activity (Go SEA)

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