UCSF

ZINC36922935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 3.29 5.85 -13.17 1 4 0 55 337.198 3
Mid Mid (pH 6-8) 3.74 3.47 -50.3 0 4 -1 58 336.19 3

Activity (Go SEA)

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