UCSF

ZINC37796586

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.75 6.61 -48.01 1 5 -1 78 262.285 6
Lo Low (pH 4.5-6) 1.75 4.61 -10.13 2 5 0 76 263.293 6

Activity (Go SEA)

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