UCSF

ZINC36790257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 1.39 2.07 -44.42 3 3 1 40 215.361 6
Mid Mid (pH 6-8) 1.39 3.91 -30.74 3 3 1 40 215.361 6
Mid Mid (pH 6-8) 1.39 4.13 -120.02 4 3 2 41 216.369 6

Activity (Go SEA)

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