UCSF

ZINC04748107

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 23 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) 2.94 9.53 -47.2 2 4 1 37 314.384 3
Mid Mid (pH 6-8) 2.94 7.18 -6.62 1 4 0 36 313.376 3

Activity (Go SEA)

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