UCSF

ZINC20261353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 1.48 7.67 -52.22 3 3 1 45 266.368 4
Hi High (pH 8-9.5) 1.48 7.37 -6.03 2 3 0 44 265.36 4
Mid Mid (pH 6-8) 1.48 8.11 -102.67 4 3 2 47 267.376 4

Activity (Go SEA)

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