UCSF

ZINC37793922

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 3.24 7.13 -49.45 1 5 -1 78 361.599 5
Lo Low (pH 4.5-6) 3.24 5.45 -12.92 2 5 0 76 362.607 5

Activity (Go SEA)

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