UCSF

ZINC36203881

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 2.78 8.69 -51.38 2 6 1 69 374.486 7
Hi High (pH 8-9.5) 3.23 6.34 -43.16 1 6 0 72 373.478 7

Activity (Go SEA)

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