UCSF

ZINC38998689

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 17 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) 2.39 7.44 -39.2 1 4 1 34 243.371 4
Mid Mid (pH 6-8) 2.39 5.52 -4.71 0 4 0 33 242.363 4

Activity (Go SEA)

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