UCSF

ZINC27617062

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 14 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) 0.87 2.4 -15.86 1 4 0 55 190.202 0
Mid Mid (pH 6-8) 0.87 3.18 -50.8 0 4 -1 58 189.194 0

Activity (Go SEA)

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