UCSF

ZINC31933607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 1.18 4.69 -58.67 1 6 -1 85 276.316 6
Mid Mid (pH 6-8) 1.18 4.89 -73.28 2 6 0 87 277.324 6

Activity (Go SEA)

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