UCSF

ZINC37040180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -1.03 -5.54 -67.59 6 8 0 140 300.34 4
Hi High (pH 8-9.5) -1.03 -6.93 -49.56 5 8 -1 136 299.332 4
Mid Mid (pH 6-8) -1.03 -5.67 -52.36 7 8 1 138 301.348 4

Activity (Go SEA)

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