UCSF

ZINC34991887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 0.09 4.64 -49.57 3 5 1 64 262.333 8
Hi High (pH 8-9.5) 0.09 3.22 -10.45 2 5 0 59 261.325 8
Mid Mid (pH 6-8) 0.09 5.15 -86.77 4 5 2 65 263.341 8

Activity (Go SEA)

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