UCSF

ZINC37063027

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.88 3.09 -42.17 4 5 1 77 361.285 3
Hi High (pH 8-9.5) 1.88 0.66 -7.84 3 5 0 75 360.277 3

Activity (Go SEA)

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