UCSF

ZINC19834757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) -0.10 0.21 -50.03 4 4 1 60 200.306 7
Hi High (pH 8-9.5) -0.10 2.16 -38.76 4 4 1 60 200.306 7
Mid Mid (pH 6-8) -0.10 2.53 -107.86 5 4 2 61 201.314 7

Activity (Go SEA)

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