UCSF

ZINC37208819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.63 4.93 -120.35 3 4 2 55 290.473 5
Mid Mid (pH 6-8) 1.63 3.87 -45.21 2 4 1 51 289.465 5

Activity (Go SEA)

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