UCSF

ZINC34841275

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 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) 4.23 10.41 -14.74 3 8 0 105 360.377 6
Lo Low (pH 4.5-6) 4.23 10.76 -47 4 8 1 106 361.385 6

Activity (Go SEA)

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