UCSF

ZINC14289386

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 24 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) 1.20 4.65 -14.66 3 6 0 90 322.368 6
Mid Mid (pH 6-8) 1.20 5.16 -38.61 4 6 1 91 323.376 6

Activity (Go SEA)

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