UCSF

ZINC44197691

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 13 No

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) -0.84 4.41 -124.96 0 5 -2 93 179.131 3
Lo Low (pH 4.5-6) -0.84 4.95 -97.83 1 5 -1 94 180.139 3

Activity (Go SEA)

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