UCSF

ZINC37043273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.90 4.49 -56.23 4 5 0 97 284.381 7
Hi High (pH 8-9.5) 0.90 4.16 -48.59 3 5 -1 95 283.373 7

Activity (Go SEA)

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