UCSF

ZINC34664396

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 2.01 4.24 -38.61 2 5 1 53 262.333 5
Hi High (pH 8-9.5) 2.01 2.81 -6.99 1 5 0 48 261.325 5

Activity (Go SEA)

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