UCSF

ZINC01179393

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 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) 3.93 10.45 -43.06 2 3 1 34 363.934 5
Mid Mid (pH 6-8) 3.93 8.18 -9.31 1 3 0 32 362.926 5

Activity (Go SEA)

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