UCSF

ZINC54237124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 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) 2.80 7.82 -10.26 0 3 0 21 265.36 4
Mid Mid (pH 6-8) 2.80 8.41 -28.11 1 3 1 22 266.368 4
Lo Low (pH 4.5-6) 2.80 10.74 -109.87 2 3 2 24 267.376 4

Activity (Go SEA)

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