UCSF

ZINC10778812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2007 33 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) 4.24 11.91 -16.28 1 5 0 62 435.527 4
Mid Mid (pH 6-8) 4.31 10.57 -43.87 2 5 1 67 436.535 4

Activity (Go SEA)

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