UCSF

ZINC41670981

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) 0.59 2.55 -40.53 2 4 1 52 183.231 4
Hi High (pH 8-9.5) 0.59 1.19 -7.85 1 4 0 47 182.223 4

Activity (Go SEA)

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