UCSF

ZINC33813048

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 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) 3.27 8.9 -60.68 0 9 -1 105 519.574 9
Mid Mid (pH 6-8) 3.27 11.24 -79.9 1 9 0 106 520.582 9
Lo Low (pH 4.5-6) 3.27 10.28 -59.92 2 9 1 103 521.59 9

Activity (Go SEA)

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