UCSF

ZINC18043575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 29 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) 3.50 12.62 -79.04 1 5 0 65 392.499 7
Mid Mid (pH 6-8) 2.92 12.34 -53.6 1 5 1 59 393.507 7
Lo Low (pH 4.5-6) 3.50 11.65 -49.67 2 5 1 62 393.507 7

Activity (Go SEA)

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