UCSF

ZINC36231622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 No

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) 0.52 0.73 -9.04 2 7 0 93 281.312 5
Mid Mid (pH 6-8) 0.52 3.05 -48.87 3 7 1 94 282.32 5

Activity (Go SEA)

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