UCSF

ZINC42915291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.97 4.14 -49.55 3 3 1 48 281.445 4
Mid Mid (pH 6-8) 0.97 5.64 -136.18 4 3 2 49 282.453 4

Activity (Go SEA)

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