UCSF

ZINC37079775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.37 3.38 -45.89 3 2 1 31 211.354 5
Hi High (pH 8-9.5) 1.37 3.33 -1.93 2 2 0 29 210.346 5
Lo Low (pH 4.5-6) 1.37 5.54 -113.1 4 2 2 32 212.362 5

Activity (Go SEA)

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