UCSF

ZINC37030475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.08 3.61 -48.9 3 5 1 79 264.33 4
Mid Mid (pH 6-8) 1.08 2.42 -15.63 2 5 0 74 263.322 4

Activity (Go SEA)

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