UCSF

ZINC03336337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 22 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) -2.61 -1.76 -38.86 0 7 1 67 306.342 3
Mid Mid (pH 6-8) -2.61 1.58 -116.25 1 7 2 68 307.35 3

Activity (Go SEA)

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