UCSF

ZINC34931613

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 39 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) 5.17 10.18 -57.61 0 8 -1 91 535.661 14
Mid Mid (pH 6-8) 5.17 12.45 -66.35 1 8 0 93 536.669 14
Lo Low (pH 4.5-6) 5.17 11.7 -47.75 2 8 1 90 537.677 14

Activity (Go SEA)

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