UCSF

ZINC39715043

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.97 1.68 -79.53 6 7 1 123 282.32 8
Mid Mid (pH 6-8) -0.97 1.25 -28.97 5 7 0 121 281.312 8
Mid Mid (pH 6-8) -0.97 0.6 -59.69 5 7 0 118 281.312 8

Activity (Go SEA)

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