UCSF

ZINC31891180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 1.85 6.2 -36.82 4 4 1 69 200.221 1
Hi High (pH 8-9.5) 1.85 5.73 -12.85 3 4 0 68 199.213 1

Activity (Go SEA)

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