UCSF

ZINC42770314

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.71 8.43 -49.32 1 5 1 43 267.397 7
Hi High (pH 8-9.5) 1.71 5.62 -7.95 0 5 0 41 266.389 7

Activity (Go SEA)

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