UCSF

ZINC37848704

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 2.03 4.73 -46.61 3 4 1 59 281.42 10
Hi High (pH 8-9.5) 2.03 3.55 -7.19 2 4 0 54 280.412 10

Activity (Go SEA)

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