UCSF

ZINC02597783

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 30 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) 4.82 12.1 -54.96 1 6 -1 87 440.932 6
Hi High (pH 8-9.5) 4.89 10.71 -142.34 0 6 -2 93 439.924 6

Activity (Go SEA)

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