UCSF

ZINC35430249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 28 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) 3.06 11.64 -19.15 0 5 0 55 393.512 3
Mid Mid (pH 6-8) 3.06 12.12 -47.54 1 5 1 56 394.52 3

Activity (Go SEA)

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