UCSF

ZINC34979554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 No

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) 0.93 6.04 -52.98 4 6 1 103 351.18 4
Mid Mid (pH 6-8) 0.93 5.71 -7.39 3 6 0 101 350.172 4

Activity (Go SEA)

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