UCSF

ZINC21647554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 27 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) 1.28 6.86 -39.34 2 7 1 71 390.533 5
Hi High (pH 8-9.5) 1.28 4.55 -10.62 1 7 0 70 389.525 5
Mid Mid (pH 6-8) 1.28 6.87 -38.08 2 7 1 71 390.533 5

Activity (Go SEA)

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