UCSF

ZINC44537349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 15 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) 1.05 4.61 -80.7 3 3 2 24 213.369 3
Hi High (pH 8-9.5) 1.05 3.33 -32.86 2 3 1 20 212.361 3
Lo Low (pH 4.5-6) 1.05 5.55 -93.13 3 3 2 21 213.369 3

Activity (Go SEA)

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