UCSF

ZINC36204064

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 4.94 11.71 -49.01 2 4 1 50 388.944 4
Mid Mid (pH 6-8) 5.39 9.12 -38.39 1 4 0 53 387.936 4

Activity (Go SEA)

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