UCSF

ZINC13123365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 4.24 3.57 -9.91 2 5 0 70 385.143 3
Ref Reference (pH 7) 3.78 6.12 -13.1 2 5 0 70 385.143 3
Hi High (pH 8-9.5) 4.97 5.02 -41.71 1 5 -1 76 384.135 3
Hi High (pH 8-9.5) 4.97 5 -42.13 1 5 -1 76 384.135 3
Hi High (pH 8-9.5) 4.24 4.09 -48.85 1 5 -1 73 384.135 3

Activity (Go SEA)

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