UCSF

ZINC36993002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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 9.79 -34.66 2 1 1 17 258.41 4
Mid Mid (pH 6-8) 3.98 8.71 -3.32 1 1 0 12 257.402 4

Activity (Go SEA)

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