UCSF

ZINC35248299

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 2.70 3.67 -9.7 1 4 0 50 269.728 1
Hi High (pH 8-9.5) 2.70 4.9 -49.44 0 4 -1 53 268.72 1

Activity (Go SEA)

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