UCSF

ZINC42779762

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 3.14 5.97 -38.4 2 2 1 20 253.435 4
Lo Low (pH 4.5-6) 3.14 8.03 -115.54 3 2 2 21 254.443 4

Activity (Go SEA)

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