UCSF

ZINC30908537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 2.08 7.02 -45.31 2 3 1 34 282.82 3
Hi High (pH 8-9.5) 2.08 5.74 -7.18 1 3 0 30 281.812 3

Activity (Go SEA)

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