UCSF

ZINC37599482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 17 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) 2.27 7.54 -41.3 2 3 1 34 230.335 4
Hi High (pH 8-9.5) 2.27 6.26 -8.59 1 3 0 30 229.327 4

Activity (Go SEA)

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