UCSF

ZINC37743309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 16 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) 2.80 7.65 -47.87 0 3 -1 53 238.332 4
Lo Low (pH 4.5-6) 2.80 8.04 -31.51 1 3 0 54 239.34 4

Activity (Go SEA)

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