UCSF

ZINC27602841

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 2.42 7.86 -53.62 3 5 1 63 372.514 8
Mid Mid (pH 6-8) 2.42 5.44 -23.31 2 5 0 61 371.506 8

Activity (Go SEA)

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