UCSF

ZINC37858142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 28 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) 3.34 7.86 -42.54 2 5 1 58 383.443 3
Hi High (pH 8-9.5) 3.34 6.06 -39.98 0 5 -1 60 381.427 3
Mid Mid (pH 6-8) 3.34 7.77 -40.95 2 5 1 58 383.443 3
Mid Mid (pH 6-8) 3.34 5.49 -7.46 1 5 0 57 382.435 3

Activity (Go SEA)

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