UCSF

ZINC37265895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 0.54 5.29 -129.51 4 3 2 41 254.349 4
Hi High (pH 8-9.5) 0.54 4.93 -39.52 3 3 1 40 253.341 4
Mid Mid (pH 6-8) 0.54 3.14 -50.6 3 3 1 40 253.341 4

Activity (Go SEA)

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