UCSF

ZINC07728278

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2006 25 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) 3.22 -6.03 -15.42 1 6 0 83 382.507 5
Hi High (pH 8-9.5) 3.22 -5.56 -49.18 0 6 -1 85 381.499 5

Activity (Go SEA)

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