UCSF

ZINC57590954

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 16 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) -0.12 -1.05 -6.85 1 4 0 40 241.36 4
Mid Mid (pH 6-8) -0.12 1.28 -35.41 2 4 1 41 242.368 4

Activity (Go SEA)

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