UCSF

ZINC37844442

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.35 8.21 -13.63 1 5 0 50 349.232 3
Lo Low (pH 4.5-6) 2.35 8.61 -36.95 2 5 1 51 350.24 3

Activity (Go SEA)

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