UCSF

ZINC13523439

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 No

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) 3.68 8.63 -44.5 0 3 -1 52 262.288 2
Lo Low (pH 4.5-6) 3.16 8.87 -8.87 1 3 0 46 263.296 2
Lo Low (pH 4.5-6) 3.13 8.87 -8.07 1 3 0 48 264.304 2

Activity (Go SEA)

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