UCSF

ZINC10019845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 25 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) 3.95 -1.49 -12.12 1 4 0 47 354.475 8
Mid Mid (pH 6-8) 3.95 -1.24 -31.34 2 4 1 48 355.483 8

Activity (Go SEA)

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