UCSF

ZINC06772305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2006 28 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) 3.01 11.33 -55.98 2 5 1 51 375.496 6
Mid Mid (pH 6-8) 3.01 9.01 -14.51 1 5 0 50 374.488 6

Activity (Go SEA)

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