UCSF

ZINC38031045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 16 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) 0.64 4.14 -38.29 2 4 1 37 228.36 5
Hi High (pH 8-9.5) 0.64 1.87 -7.4 1 4 0 36 227.352 5
Mid Mid (pH 6-8) 0.64 5.43 -99.3 3 4 2 41 229.368 5

Activity (Go SEA)

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