UCSF

ZINC34933323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.87 12.52 -76.39 1 6 0 74 491.415 10
Lo Low (pH 4.5-6) 4.87 11.76 -55.53 2 6 1 71 492.423 10

Activity (Go SEA)

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