UCSF

ZINC08716746

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 27 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) 3.06 11.21 -15.12 1 5 0 66 361.445 6
Hi High (pH 8-9.5) 3.52 8.49 -52.6 0 5 -1 69 360.437 6

Activity (Go SEA)

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