UCSF

ZINC37020170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 0.93 1.57 -47.67 4 5 1 74 205.241 3
Hi High (pH 8-9.5) 0.93 0.14 -10.56 3 5 0 70 204.233 3

Activity (Go SEA)

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