UCSF

ZINC42896941

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.82 2.81 -44.31 4 5 1 83 307.395 7
Hi High (pH 8-9.5) 1.82 2.51 -10.93 3 5 0 81 306.387 7

Activity (Go SEA)

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