UCSF

ZINC20225519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.02 7.27 -116.13 4 2 2 32 220.36 5
Mid Mid (pH 6-8) 2.02 5.26 -43.15 3 2 1 31 219.352 5

Activity (Go SEA)

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