UCSF

ZINC37480374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 12 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) 0.90 1.77 -42 4 3 1 57 173.28 5
Mid Mid (pH 6-8) 0.90 1.44 -6.97 3 3 0 55 172.272 5

Activity (Go SEA)

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