UCSF

ZINC61781809

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 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) 2.64 5.5 -33.61 3 4 1 57 263.361 5
Mid Mid (pH 6-8) 2.64 3.41 -8.58 2 4 0 56 262.353 5

Activity (Go SEA)

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