UCSF

ZINC65323334

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) 3.73 7.93 -14 1 8 0 79 390.399 5
Lo Low (pH 4.5-6) 3.73 8.32 -39.07 2 8 1 80 391.407 5

Activity (Go SEA)

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