UCSF

ZINC37825925

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.32 -0.99 -43.83 3 7 1 87 272.325 4
Lo Low (pH 4.5-6) -1.32 1.15 -100.36 4 7 2 88 273.333 4

Activity (Go SEA)

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