UCSF

ZINC38571036

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 29 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) -0.84 6.51 -64.44 3 10 -1 140 402.431 6
Mid Mid (pH 6-8) -0.84 6.97 -58.31 4 10 0 141 403.439 6

Activity (Go SEA)

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