UCSF

ZINC37997526

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.44 10.03 -117.25 3 2 2 21 284.394 6
Hi High (pH 8-9.5) 3.44 8.11 -51.12 2 2 1 20 283.386 6

Activity (Go SEA)

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