UCSF

ZINC34885197

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 3.07 8.51 -10.77 6 7 0 120 485.595 6
Mid Mid (pH 6-8) 3.07 9.24 -36.53 7 7 1 121 486.603 6

Activity (Go SEA)

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