UCSF

ZINC34940904

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 3.45 7.79 -57.91 0 7 -1 82 514.396 8
Mid Mid (pH 6-8) 3.45 10.06 -73.8 1 7 0 83 515.404 8
Lo Low (pH 4.5-6) 3.45 9.31 -57.24 2 7 1 81 516.412 8

Activity (Go SEA)

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