UCSF

ZINC36855002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) -0.12 5.66 -67.92 2 6 0 94 256.302 7
Hi High (pH 8-9.5) -0.12 4.4 -49.84 1 6 -1 90 255.294 7

Activity (Go SEA)

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