UCSF

ZINC36882455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 2.53 6.34 -41 2 2 1 29 219.333 4
Hi High (pH 8-9.5) 2.53 4.98 -5.87 1 2 0 25 218.325 4

Activity (Go SEA)

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