UCSF

ZINC61820226

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 14 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) 1.19 3.19 -38.54 4 4 1 63 200.306 3
Hi High (pH 8-9.5) 1.19 0.96 -4.71 3 4 0 62 199.298 3

Activity (Go SEA)

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