UCSF

ZINC37114153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.36 5.11 -39.07 3 3 1 46 238.351 8
Hi High (pH 8-9.5) 1.36 4.77 -4.19 2 3 0 44 237.343 8

Activity (Go SEA)

Rings

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