UCSF

ZINC42771768

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.65 8.08 -55.59 1 5 0 61 268.357 8
Hi High (pH 8-9.5) 1.65 5.62 -50.43 0 5 -1 60 267.349 8
Lo Low (pH 4.5-6) 1.65 9.19 -85.57 2 5 1 62 269.365 8

Activity (Go SEA)

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