UCSF

ZINC34383648

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 31 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) 1.86 5.48 -51.5 3 9 1 116 474.918 8
Hi High (pH 8-9.5) 2.32 2.69 -59.06 1 9 -1 115 472.902 8
Mid Mid (pH 6-8) 1.86 4.33 -17.2 2 9 0 112 473.91 8

Activity (Go SEA)

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