UCSF

ZINC35311462

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 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) 2.29 4.6 -49.04 3 5 1 64 305.379 6
Mid Mid (pH 6-8) 2.29 3.25 -11.47 2 5 0 60 304.371 6

Activity (Go SEA)

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