UCSF

ZINC34603028

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 6.02 10.37 -45.95 4 3 1 57 390.547 10
Hi High (pH 8-9.5) 6.02 10.15 -7.43 3 3 0 55 389.539 10

Activity (Go SEA)

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