UCSF

ZINC37040075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.90 2.65 -14.98 4 6 0 101 283.287 2
Mid Mid (pH 6-8) 2.36 0.01 -50.72 3 6 -1 104 282.279 2

Activity (Go SEA)

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