UCSF

ZINC35411259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) 1.16 6.76 -42.47 3 3 1 45 244.362 3
Hi High (pH 8-9.5) 1.16 6.46 -6.29 2 3 0 44 243.354 3
Lo Low (pH 4.5-6) 1.16 7.1 -102.97 4 3 2 47 245.37 3

Activity (Go SEA)

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