UCSF

ZINC30252174

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2009 28 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) 3.98 9.59 -13.38 2 7 0 97 388.512 9
Mid Mid (pH 6-8) 4.44 7.06 -58.23 1 7 -1 100 387.504 9

Activity (Go SEA)

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