UCSF

ZINC36875310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 Yes

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) 1.21 1.95 -45.01 3 3 1 40 241.38 3
Hi High (pH 8-9.5) 1.21 1.72 -3.22 2 3 0 38 240.372 3

Activity (Go SEA)

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