UCSF

ZINC43678514

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) 3.30 5.19 -2.89 0 2 0 12 302.237 2
Mid Mid (pH 6-8) 3.30 7.43 -36.02 1 2 1 14 303.245 2

Activity (Go SEA)

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