UCSF

ZINC16129005

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 30 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) 3.97 4.12 -16.34 2 7 0 102 450.513 7
Hi High (pH 8-9.5) 3.97 4.21 -48.31 1 7 -1 104 449.505 7
Hi High (pH 8-9.5) 3.97 4.18 -57.4 1 7 -1 104 449.505 7
Hi High (pH 8-9.5) 3.97 4.27 -113.43 0 7 -2 106 448.497 7

Activity (Go SEA)

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