UCSF

ZINC27749232

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 29 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) 2.84 3.77 -14.16 3 7 0 99 393.443 6
Hi High (pH 8-9.5) 2.84 4.58 -43.68 2 7 -1 102 392.435 6

Activity (Go SEA)

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