UCSF

ZINC37786299

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.53 8.36 -30.48 2 2 1 16 261.433 4
Lo Low (pH 4.5-6) 3.53 9.56 -105.26 3 2 2 21 262.441 4

Activity (Go SEA)

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