UCSF

ZINC37792413

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 1.16 3.9 -58.44 2 5 -1 89 256.322 6
Lo Low (pH 4.5-6) 1.16 1.37 -12.18 3 5 0 87 257.33 6

Activity (Go SEA)

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