UCSF

ZINC65323330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 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) 3.94 9.69 -12.02 1 7 0 64 389.459 6
Lo Low (pH 4.5-6) 3.94 10.45 -63.13 2 7 0 65 390.467 6

Activity (Go SEA)

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