UCSF

ZINC35728241

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 12 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) -1.70 -2.35 -66.21 3 4 0 62 171.244 3
Mid Mid (pH 6-8) -1.70 -1.12 -47.98 4 4 1 60 172.252 3

Activity (Go SEA)

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