UCSF

ZINC37795768

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.09 8.78 -55.12 1 6 -1 87 284.295 5
Mid Mid (pH 6-8) 1.09 9.29 -66.61 2 6 0 88 285.303 5
Lo Low (pH 4.5-6) 1.09 7.35 -49.44 3 6 1 85 286.311 5

Activity (Go SEA)

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