UCSF

ZINC20994505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 27 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) 2.43 6.76 -39.4 2 5 1 46 371.501 9
Lo Low (pH 4.5-6) 2.43 9.11 -85.21 3 5 2 48 372.509 9

Activity (Go SEA)

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