UCSF

ZINC09510174

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 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) 3.19 11.09 -17.66 5 9 0 136 458.546 3
Mid Mid (pH 6-8) 3.19 11 -14.6 4 9 0 134 457.538 3

Activity (Go SEA)

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