UCSF

ZINC34992096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 4.68 10.61 -39.24 2 1 1 17 254.397 4
Hi High (pH 8-9.5) 4.68 9.58 -3.34 1 1 0 12 253.389 4

Activity (Go SEA)

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