UCSF

ZINC27329456

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 15 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) 1.45 3.69 -51.23 1 4 -1 77 205.189 4
Hi High (pH 8-9.5) 1.45 4.48 -95.47 0 4 -2 80 204.181 4

Activity (Go SEA)

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