UCSF

ZINC37124028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.51 7.22 -6.18 2 3 0 41 272.392 2
Lo Low (pH 4.5-6) 4.51 6.76 -43.58 3 3 1 46 273.4 2

Activity (Go SEA)

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