UCSF

ZINC38107890

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 20 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) 3.19 1.82 -39.31 1 5 -1 81 311.77 3
Mid Mid (pH 6-8) 3.19 1.75 -9.8 2 5 0 79 312.778 3

Activity (Go SEA)

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