UCSF

ZINC45695494

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.36 5.1 -36.1 2 4 1 52 218.317 9
Hi High (pH 8-9.5) 1.36 4.27 -6.21 1 4 0 48 217.309 9

Activity (Go SEA)

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