UCSF

ZINC34825344

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.17 10.38 -35.58 2 3 1 34 266.368 4
Hi High (pH 8-9.5) 3.17 9.14 -7.26 1 3 0 30 265.36 4
Lo Low (pH 4.5-6) 3.17 10.86 -90.66 3 3 2 36 267.376 4

Activity (Go SEA)

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