UCSF

ZINC21704502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 No

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) 3.61 10.1 -40.98 1 7 0 86 500.422 5
Hi High (pH 8-9.5) 3.61 7.9 -46.24 0 7 -1 85 499.414 5
Mid Mid (pH 6-8) 3.79 8.85 -20.37 1 7 0 78 500.422 5
Lo Low (pH 4.5-6) 3.79 11.18 -60.03 2 7 1 80 501.43 5

Activity (Go SEA)

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