UCSF

ZINC39125648

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 No

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) 1.31 -0.57 -8.63 2 3 0 58 156.112 1
Hi High (pH 8-9.5) 1.31 0.36 -34.42 1 3 -1 60 155.104 1
Mid Mid (pH 6-8) 1.31 0.35 -41.9 1 3 -1 60 155.104 1

Activity (Go SEA)

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