UCSF

ZINC31990056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -0.40 -1.2 -63.64 3 4 1 65 233.357 1
Hi High (pH 8-9.5) -0.40 -1.5 -9.51 2 4 0 63 232.349 1
Mid Mid (pH 6-8) -0.40 0.74 -49.56 3 4 1 65 233.357 1
Mid Mid (pH 6-8) -0.40 0.86 -144.97 4 4 2 66 234.365 1

Activity (Go SEA)

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