UCSF

ZINC35297525

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 36 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) 2.89 8.66 -58.99 0 10 -1 128 494.524 10
Mid Mid (pH 6-8) 2.89 10.92 -82.5 1 10 0 129 495.532 10
Lo Low (pH 4.5-6) 2.89 10.17 -66.3 2 10 1 126 496.54 10

Activity (Go SEA)

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