UCSF

ZINC40086362

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 24 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) 3.44 10.28 -54.65 2 3 1 37 394.308 6
Mid Mid (pH 6-8) 3.44 8.92 -10.73 1 3 0 32 393.3 6

Activity (Go SEA)

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