UCSF

ZINC30908869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 21 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) 1.83 8.56 -41.43 2 4 1 48 286.399 4
Hi High (pH 8-9.5) 1.83 7.24 -7.56 1 4 0 43 285.391 4

Activity (Go SEA)

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