UCSF

ZINC13685458

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 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) 3.57 8.07 -14.02 0 6 0 65 400.434 4
Lo Low (pH 4.5-6) 3.57 11.35 -115.7 2 6 2 67 402.45 4
Lo Low (pH 4.5-6) 3.57 8.54 -45.07 1 6 1 66 401.442 4

Activity (Go SEA)

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