UCSF

ZINC42453097

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) 1.38 7.38 -31.55 3 4 1 56 267.422 6
Mid Mid (pH 6-8) 1.38 6.91 -11.16 2 4 0 55 266.414 6

Activity (Go SEA)

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