UCSF

ZINC42177028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.61 5.23 -48.1 1 4 -1 69 210.253 3
Lo Low (pH 4.5-6) 1.61 3.24 -8.21 2 4 0 66 211.261 3

Activity (Go SEA)

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