UCSF

ZINC36913553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.32 2.59 -84.66 6 5 2 86 272.352 3
Mid Mid (pH 6-8) 1.32 2.16 -44.16 5 5 1 85 271.344 3

Activity (Go SEA)

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