UCSF

ZINC42819450

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.16 5.88 -39.16 3 4 1 55 302.479 12
Hi High (pH 8-9.5) 3.16 4.46 -4.9 2 4 0 51 301.471 12

Activity (Go SEA)

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