UCSF

ZINC37850432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.58 0.01 -41.91 4 4 1 66 226.296 7
Hi High (pH 8-9.5) 0.58 -1.42 -8.39 3 4 0 62 225.288 7

Activity (Go SEA)

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