UCSF

ZINC36136847

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 16 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) 0.78 1.13 -44.91 4 4 1 68 227.328 4
Mid Mid (pH 6-8) 0.78 1.25 -5.91 3 4 0 67 226.32 4

Activity (Go SEA)

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