UCSF

ZINC37840811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.68 2.24 -14.67 1 6 0 83 307.375 5
Hi High (pH 8-9.5) 1.14 0.57 -50.06 0 6 -1 86 306.367 5
Lo Low (pH 4.5-6) 0.68 2.71 -48.26 2 6 1 84 308.383 5

Activity (Go SEA)

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