UCSF

ZINC33321263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 27 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) 5.40 11.89 -17.47 1 4 0 55 374.465 4
Hi High (pH 8-9.5) 5.46 10.92 -50.12 0 4 -1 61 373.457 4

Activity (Go SEA)

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