UCSF

ZINC36804646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 0.85 6.34 -74.68 3 4 2 36 226.368 6
Hi High (pH 8-9.5) 0.85 5.81 -38.16 2 4 1 34 225.36 6
Lo Low (pH 4.5-6) 0.85 6.99 -102.26 3 4 2 39 226.368 6

Activity (Go SEA)

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