UCSF

ZINC42186648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 1.18 0.58 -38.3 3 4 1 49 243.371 5
Mid Mid (pH 6-8) 1.18 2.9 -104.07 4 4 2 51 244.379 5

Activity (Go SEA)

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