UCSF

ZINC35512268

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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) 3.33 10.74 -12.57 0 6 0 49 436.943 3
Mid Mid (pH 6-8) 3.33 11.21 -43.45 1 6 1 50 437.951 3

Activity (Go SEA)

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