UCSF

ZINC34991701

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.34 9.49 -95.08 3 3 2 30 278.44 9
Hi High (pH 8-9.5) 3.34 8.29 -33.89 2 3 1 26 277.432 9

Activity (Go SEA)

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