UCSF

ZINC44515445

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 3.71 9.75 -100.79 3 2 2 21 302.384 5
Mid Mid (pH 6-8) 3.71 8.73 -36.25 2 2 1 16 301.376 5

Activity (Go SEA)

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