UCSF

ZINC04813014

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 29 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) 5.16 9.73 -33.39 3 5 1 69 387.459 6
Mid Mid (pH 6-8) 5.16 9.18 -11.46 2 5 0 67 386.451 6
Mid Mid (pH 6-8) 5.16 9.19 -11.12 2 5 0 67 386.451 6

Activity (Go SEA)

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