UCSF

ZINC13880650

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 24 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) 2.38 6.94 -32.98 3 6 0 88 393.237 5
Hi High (pH 8-9.5) 2.38 7.73 -83.26 2 6 -1 90 392.229 5

Activity (Go SEA)

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