UCSF

ZINC35179771

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) -0.81 0.57 -42.81 4 7 1 95 226.26 2
Mid Mid (pH 6-8) -0.35 -1.09 -55.9 3 7 0 98 225.252 2

Activity (Go SEA)

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