UCSF

ZINC37092977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.29 10.58 -6.19 0 2 0 16 274.795 3
Mid Mid (pH 6-8) 4.29 11.06 -24.03 1 2 1 17 275.803 3

Activity (Go SEA)

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