UCSF

ZINC37072478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.83 9.42 -92.78 3 2 2 21 282.497 5
Hi High (pH 8-9.5) 3.83 8.59 -34.59 2 2 1 16 281.489 5

Activity (Go SEA)

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