UCSF

ZINC37038077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.07 -0.12 -45.79 4 5 1 63 257.402 7
Lo Low (pH 4.5-6) 0.07 1.79 -105.25 5 5 2 64 258.41 7

Activity (Go SEA)

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