UCSF

ZINC36996285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.94 10.33 -32.61 2 2 1 16 307.889 5
Hi High (pH 8-9.5) 3.94 8.08 -1.47 1 2 0 15 306.881 5
Lo Low (pH 4.5-6) 3.94 11.16 -117.55 3 2 2 21 308.897 5

Activity (Go SEA)

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