UCSF

ZINC36869713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.15 -0.17 -67.19 3 4 1 65 275.419 4
Hi High (pH 8-9.5) 0.15 -0.47 -11.88 2 4 0 63 274.411 4

Activity (Go SEA)

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