UCSF

ZINC31990105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 0.08 0.91 -59.73 3 4 1 65 247.384 1
Hi High (pH 8-9.5) 0.08 0.85 -9.67 2 4 0 63 246.376 1
Mid Mid (pH 6-8) 0.08 2.16 -47.46 3 4 1 65 247.384 1
Lo Low (pH 4.5-6) 0.08 2.22 -148.9 4 4 2 66 248.392 1

Activity (Go SEA)

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