UCSF

ZINC37098932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.22 6.14 -33.89 3 3 1 40 223.34 6
Hi High (pH 8-9.5) 2.22 4.04 -4.04 2 3 0 38 222.332 6

Activity (Go SEA)

Rings

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