UCSF

ZINC17168252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 26 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) 2.08 7.11 -12.56 1 5 0 68 340.386 4
Lo Low (pH 4.5-6) 2.15 5.66 -51.37 2 5 1 73 341.394 4
Lo Low (pH 4.5-6) 2.08 7.53 -53.49 2 5 1 69 341.394 4

Activity (Go SEA)

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