UCSF

ZINC37336448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 3.33 8.99 -43.72 1 2 1 22 256.316 6
Hi High (pH 8-9.5) 3.33 7.37 -8.7 0 2 0 20 255.308 6

Activity (Go SEA)

Rings

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