UCSF

ZINC36722003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 2.94 6.77 -12.82 1 3 0 42 305.175 3
Mid Mid (pH 6-8) 2.94 6.91 -38.18 2 3 1 43 306.183 3

Activity (Go SEA)

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