UCSF

ZINC37504740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 2.28 6.64 -7.61 1 3 0 32 260.381 3
Lo Low (pH 4.5-6) 2.28 7.83 -37.99 2 3 1 37 261.389 3

Activity (Go SEA)

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