UCSF

ZINC08742560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 22 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) 4.99 9.08 -14.73 1 3 0 46 328.462 3
Hi High (pH 8-9.5) 5.45 7.72 -49.68 0 3 -1 49 327.454 3

Activity (Go SEA)

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