UCSF

ZINC20414255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 34 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) 4.81 9.93 -13.12 2 6 0 74 458.606 4
Mid Mid (pH 6-8) 4.81 10.37 -40.7 3 6 1 76 459.614 4

Activity (Go SEA)

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