UCSF

ZINC57337540

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 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) 2.42 6.97 -18.13 1 7 0 85 367.405 6
Hi High (pH 8-9.5) 2.88 4.26 -54.65 0 7 -1 88 366.397 6

Activity (Go SEA)

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