UCSF

ZINC43893353

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 1.87 6.44 -38.03 2 3 1 33 256.373 6
Hi High (pH 8-9.5) 1.87 5.46 -4.2 1 3 0 28 255.365 6
Lo Low (pH 4.5-6) 1.87 8.38 -127.2 3 3 2 34 257.381 6

Activity (Go SEA)

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