UCSF

ZINC16335092

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 23 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) 4.33 9.78 -32.98 2 3 1 34 319.513 3
Hi High (pH 8-9.5) 4.33 7.59 -6.26 1 3 0 32 318.505 3

Activity (Go SEA)

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