UCSF

ZINC37828374

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.54 7.5 -67.21 1 5 0 65 256.346 5
Lo Low (pH 4.5-6) 0.54 5.52 -39.32 2 5 1 62 257.354 5

Activity (Go SEA)

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