UCSF

ZINC49800758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 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) 2.10 7.38 -52.91 2 5 1 67 290.387 8
Mid Mid (pH 6-8) 2.10 5.93 -11.42 1 5 0 65 289.379 8

Activity (Go SEA)

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