UCSF

ZINC33809856

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 20 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) 1.77 7.2 -18 1 5 0 79 306.778 4
Mid Mid (pH 6-8) 1.84 6.31 -41.54 0 5 -1 85 305.77 4

Activity (Go SEA)

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