UCSF

ZINC02087761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 41 No

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) 5.82 13.62 -17.89 1 7 0 79 548.639 10
Lo Low (pH 4.5-6) 5.82 13.99 -50.84 2 7 1 80 549.647 10

Activity (Go SEA)

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