UCSF

ZINC45695314

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 1.29 3.46 -42.87 3 3 1 46 224.324 7
Hi High (pH 8-9.5) 1.29 2.2 -4.5 2 3 0 41 223.316 7

Activity (Go SEA)

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