UCSF

ZINC44873800

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 17 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) -0.32 -0.17 -12.18 3 6 0 82 240.307 3
Mid Mid (pH 6-8) -0.32 2.02 -49.74 4 6 1 83 241.315 3

Activity (Go SEA)

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