UCSF

ZINC37007663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.02 5.04 -53.96 4 3 1 57 283.342 3
Mid Mid (pH 6-8) 3.02 4.76 -6.48 3 3 0 55 282.334 3

Activity (Go SEA)

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