UCSF

ZINC06569802

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 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) 3.99 9.74 -14.52 0 6 0 69 378.457 6
Lo Low (pH 4.5-6) 3.99 10.04 -54.96 1 6 1 71 379.465 6

Activity (Go SEA)

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