UCSF

ZINC35005459

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.26 7.52 -61.65 0 9 -1 101 521.59 10
Mid Mid (pH 6-8) 3.26 9.8 -70.36 1 9 0 102 522.598 10
Lo Low (pH 4.5-6) 3.26 9.06 -52.13 2 9 1 99 523.606 10

Activity (Go SEA)

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