UCSF

ZINC20219215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 4.23 9.27 -59.08 0 8 -1 91 521.634 12
Mid Mid (pH 6-8) 4.23 11.6 -72.07 1 8 0 93 522.642 12
Lo Low (pH 4.5-6) 4.23 10.78 -49.09 2 8 1 90 523.65 12

Activity (Go SEA)

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