UCSF

ZINC34950164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 2.84 7.52 -49.66 0 8 -1 114 469.52 8
Mid Mid (pH 6-8) 2.84 7.99 -17.99 1 8 0 112 470.528 8

Activity (Go SEA)

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